Re: [cellml-discussion] ABI CellML meeting minutes 2009-12-16

2009-12-17 Thread James Lawson
We (Catherine, Poul and I) were thinking that there are basically  
three places where you'd want to display / store this information  
within PMR2: in the metadata itself (thereby allowing it to be  
rendered by software, indexed and searched etc.), on the exposure  
somewhere (perhaps a rendering of the metadata,) and in the proposed  
blanket, site-wide 'terms of use' page.


As Catherine has mentioned in the relevant tracker item (don't have  
the number on hand,) one of the issues which we must now decide on is  
whether to require that all models in the repository abide by CC  
attrib 3 or whether users can specify special cases.


Cheers,
James

On 18/12/2009, at 1:25 AM, Alan Garny wrote:


From: cellml-discussion-boun...@cellml.org [mailto:cellml-discussion-
boun...@cellml.org] On Behalf Of Dougal Cowan
Sent: 17 December 2009 01:55
To: cellml-discussion@cellml.org
Subject: [cellml-discussion] ABI CellML meeting minutes 2009-12-16

I have put the minutes from this week's meeting up at:

http://www.cellml.org/community/meeting/minutes/2009/12.16


Just a quick comment about the minutes:

- Randall said we will need a good way to indicate which license  
applies
to each model - possibly in metadata. -- Metadata seems like an  
obvious
place indeed. One thing to keep in mind (and I am sure you guys did,  
but I
didn't see any mention of it) is that the license under which a  
particular
model comes should be very obvious to anyone using PMR2. In other  
words,
someone shouldn't have to, say, download a model and then check its  
metadata

so that he knows about its license.

Alan

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[cellml-discussion] I am leaving the ABI

2009-12-15 Thread James Lawson

Hi all,

This is just a note to say that I will be leaving the Auckland 
Bioengineering Institute on January 14th 2010, after which point I will 
no longer be a regular contributor to the CellML project. I do plan to 
stay up to date with developments in the project and to keep in touch 
with the community after my departure.


I'd like to say what a fantastic few years I've had on the project, and 
that I have very much enjoyed working with everyone who works tirelessly 
to make CellML the revolutionary technology that it is.


Kind regards,
James Lawson


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[cellml-discussion] ABI CellML meeting minutes 20091118

2009-11-18 Thread James Lawson

Dear all,

The minutes for this week's ABI CellML team meeting are now available at:
http://www.cellml.org/community/meeting/minutes/2009/11.18

Kind regards,
James
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Re: [cellml-discussion] CellML and OWL

2009-08-31 Thread James Lawson

Thanks Ely, glad to see you got it published. We'll give it a read.

Kind regards,
James Lawson

Ely Edison Matos wrote:

Hello,
Approximately one year ago (september, 2008) we comment on the use 
of OWL ontologies associated to CellML models.
For whom that have some interest in the topic, part of the work 
developed by our group at UFJF as my Msc Thesis can be known here:
 
http://dx.doi.org/10.1016/j.jbi.2009.08.008


We thank comments and suggestions, and we would like knowing other 
related works.
 
Thanks for the attention,
 
Ely Matos
 
 
 
 
 



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[cellml-discussion] ABI CellML team meeting minutes 2009-09-26

2009-08-30 Thread James Lawson

Dear CellML community,

The minutes for last week's Auckland CellML team meeting are now up at:

http://www.cellml.org/community/meeting/minutes/08.26

Kind regards,
James
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[cellml-discussion] CellML Metadata 1.0 Specification finalised

2009-07-23 Thread James Lawson

Dear CellML community,

The CellML Metadata 1.0 specification has been in draft format for a 
number of years. Although we recognise that there are many changes and 
updates required in CellML metadata, we have decided to finalise the 
specification as it is, since it has not changed since 2005, and has 
been referenced in many articles.


The finalised specification is now available at: 
http://www.cellml.org/specifications/metadata


Kind regards,
James Lawson
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[cellml-discussion] IUPS2009 CellML Workshop Announcement

2009-06-08 Thread James Lawson

Dear CellML community,

The IUPS2009 meeting http://www.iups2009.com/index.html will take 
place in Kyoto from 28th July until August 1st, 2009.


Attendees from the CellML project have organised a workshop-style 
tutorial http://www.iups2009.com/0220/Tutorial.pdf at this event to 
provide an introduction to CellML, its usage, and tools for working with 
CellML models. This workshop will take place on the second day of the 
conference, *29th July 2009, from 14:15-16:45hrs,  in Room K* of the 
conference complex. 

The workshop will consist of a short introductory presentation, followed 
by a period of hands-on tuition supervised by senior members of the 
CellML community. Computers and internet connections will be available, 
although attendees would be advised to bring a notebook computer if 
possible.


If you are planning on attending this conference, please come join us 
and participate in the workshop. Further information on this workshop 
will be released as the details are finalised.


Kind regards,
James Lawson
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Re: [cellml-discussion] [cellmlteam] Contributing CellML models to Wolfram Alpha

2009-06-01 Thread James Lawson
To be honest I'm not really so impressed with WA yet, but that's 
probably because I haven't learned to use it properly.


Can anyone explain/speculate to me how submitting to WA would help our 
goals of a.) increasing uptake of CellML, b.) model distribution [this 
one is obvious,] c.) model reuse, d.) model 
mix/match/cut/paste/remix/mashup, e.) model reparameterisation, f.) 
merging of data sets?


Simulation and graphing is nice - I guess this fits partly under 
distribution? Actually Abhishek, this suggest echoes that request by the 
BestGRID project for CellML input... (see 
http://www.cellml.org/meeting_minutes/abi-cellml-meeting-minutes-2009-05-20/) 
but potentially more accessible.


Kind regards,
James

Alan Garny wrote:

From: team-boun...@cellml.org [mailto:team-boun...@cellml.org] On Behalf


Of
  

Abhishek Tiwari
By now you must have heard about computational engine Wolfram|Alpha,
if not you can try here http://www.wolframalpha.com/. I am curious if
anyone have thoughts about contributing cellml models to Wolfram|Alpha
engine, currently they are accepting contributed structured data,
models and algorithms
(http://www18.wolframalpha.com/participate/algorithms.html). Alpha
does lot of fantastic things, simulation and graphing is one of them.



That seems like an interesting idea, but hopefully this wouldn't mean giving
them CellML files as such, but rather them making use of the CellML
Repository?...

Alan

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[cellml-discussion] cellml.org publications listing

2009-05-24 Thread James Lawson

Hi all,

I'd like to update our CellML publications listing at 
http://www.cellml.org/publications/


If you have any recent publications (or in fact any old publications) 
which you'd like to add to this list, please send me the citation and 
I'll put it up.


Kind regards,
James
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Re: [cellml-discussion] tools that use and / or work with CellML

2009-05-17 Thread James Lawson

Hi everyone,

I've updated the CellML tools page at http://www.cellml.org/tools with 
some of the new tools and descriptions that people sent me. If you can 
think of anything further that should be up there but is not, please let 
me know. I'm aware that we don't have any tools from any of the Japanese 
groups.


Thanks,
James

James Lawson wrote:

Hi all,

We'd like to put some content on the tools page that discusses the 
tools we list. What I'm wondering is if anyone has a presentation / 
poster / etc. that they wouldn't mind us putting up as a piece of 
featured content on the tools page. For example, I know some of you 
did presentations at the recent workshop about tools that work with 
CellML. If we could link to these, or preferably host them, that would 
be really fantastic. I'm trying to build up a repository of 
information about the software we have.


If you have something you think might be useful but there are 
copyright issues or similar with it, please let me know and we'll see 
if we can work something out.


Please feel free to pass this email request around.

Thanks!
James
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Re: [cellml-discussion] tools that use and / or work with CellML

2009-05-07 Thread James Lawson

Thanks Nico, I'll put that info up.

Kind regards,
James

Nicolas Rodriguez wrote:

James Lawson wrote:

James Lawson wrote:

Hi all,

We're currently doing some work on the Tools page of the website at 
http://www.cellml.org/tools and I'd just like people to have a look 
through the listing there and check that your tools are all there. 
The listing is fairly old so I know we're missing a few. Apologies 
in advance if your tool is missing, but please let us know and we'll 
rectify that ASAP.


Kind regards,
James Lawson
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In particular, we don't have the CellML - SBML translators up 
there. So if anyone could link me to them and maybe give me a short 
paragraph description about them, that would be great.



The page general page about SBML converters developed at EBI is :
http://www.ebi.ac.uk/compneur-srv/sbml/converters/SBMLConverters.html

Specific CellML pages:
http://www.ebi.ac.uk/compneur-srv/sbml/converters/SBMLtoCellML.html
http://www.ebi.ac.uk/compneur-srv/sbml/converters/CellMLtoSBML.html

Note : The stylesheets on these pages are not entirely up-to-date with 
the ones used to create the export formats of Biomodels DB, I still 
have to work on some issues before updating the web site.


As for a really short description, they are translation tools, written 
using XSLT.


The SBML to CellML converter is creating a CellML file using reactions 
and we need to update it. Andrew is currently working on writing a new 
version of it, the prototype is done but we need to correct some 
issues before to use replace the XSLT version. This new version is 
written in Ruby and is focusing mainly on getting the units as right 
as possible and using the latest CellML specs without using reactions, 
not doing anything about metadata yet. We are also planning to update 
the CellML to SBML converter, probably written in Java when the new 
specifications are out.


Cheers,
Nico


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[cellml-discussion] tools that use and / or work with CellML

2009-05-03 Thread James Lawson

Hi all,

We're currently doing some work on the Tools page of the website at 
http://www.cellml.org/tools and I'd just like people to have a look 
through the listing there and check that your tools are all there. The 
listing is fairly old so I know we're missing a few. Apologies in 
advance if your tool is missing, but please let us know and we'll 
rectify that ASAP.


Kind regards,
James Lawson
begin:vcard
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n:Lawson;James
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adr:;;University of AucklandNew Zealand
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Re: [cellml-discussion] tools that use and / or work with CellML

2009-05-03 Thread James Lawson

Hi David,

That's awesome, thanks very much. Do you want to just write a paragraph 
on each of them, about what they do, what they're for etc.?


Thanks,
James

David Cumin wrote:
James, 


Attached are two matlab scripts (runMatlabCellML.m to run an exported
CellML model and fitMatlabCellML.m one to do parameter fitting) and my
graphical cellml editor.

Regards,

David Cumin
PhD Student
Department of Anaesthesiology / Bioengineering
University of Auckland
Ph: +64 9 373 7599 ext 85948


--Original Message-
-From: cellml-discussion-boun...@cellml.org [mailto:cellml-discussion-
-boun...@cellml.org] On Behalf Of James Lawson
-Sent: Monday, 4 May 2009 1:18 p.m.
-To: CellML Discussion List
-Subject: [cellml-discussion] tools that use and / or work with CellML
-
-Hi all,
-
-We're currently doing some work on the Tools page of the website at
-http://www.cellml.org/tools and I'd just like people to have a look
-through the listing there and check that your tools are all there. The
-listing is fairly old so I know we're missing a few. Apologies in
-advance if your tool is missing, but please let us know and we'll
-rectify that ASAP.
-
-Kind regards,
-James Lawson
  



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Re: [cellml-discussion] Meeting minutes 2008-11-19

2008-11-26 Thread James Lawson

Hi Alan,

The way we currently do it is the minuter writes up the minutes and 
releases them to the people who were present at the meeting for 
corrections. The full, revised minutes are then made public, usually 
several days later. Unfortunately we had a powercut yesterday and Dougal 
lost all his minutes, since plone doesn't make regular saves :(


I definitely understand where you're coming from. We've talked quite a 
bit about how the minutes from the Auckland meeting should be done, and 
we've come to the conclusion that we're a bit limited by technology at 
the moment, since our plone site doesn't record change logs for 
documents properly.


Would everyone prefer a more rapid, but subject to change, release of 
the minutes?


Thanks,
James

Alan Garny wrote:

Hi,

I was wondering whether the minutes could be announced sooner? I understand
that they need to be approved, but still I would expect them to be announced
within 24 hours. If we look at last week's meeting, I received notice of the
minutes on Monday evening (i.e. Tuesday morning NZ time), i.e. one day
before you guys have your weekly CellML meeting (!!).

Most importantly (maybe) is that, while reading the minutes, I could relate
to issues (reported in the minutes) that had been acted upon since last
week's meeting. This is obviously good, but those issues kind of came out of
the blue at the time. It would have been nice if I didn't have to put 2 and
2 together, try to read people's mind behind their actions, etc.

Also, to know about the outcome of the meeting within 24 hours would
potentially allow people to react more efficiently (i.e. in 'real-time').

Cheers, Alan.

PS: it's not a recent occurrence, since it has been going on for months. In
a couple of cases, it even happened that the minutes were not announced. So,
no, nothing to do with the person who currently produces the minutes... :)

  

-Original Message-
From: [EMAIL PROTECTED] [mailto:cellml-discussion-
[EMAIL PROTECTED] On Behalf Of Dougal Cowan
Sent: 24 November 2008 20:57
To: cellml-discussion@cellml.org
Subject: [cellml-discussion] Meeting minutes 2008-11-19

The minutes from last week's ABI CellML Team meeting are up at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-11-19

Dougal
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Re: [cellml-discussion] Auto-generate HDF5 from CellML?

2008-11-10 Thread James Lawson

Hi Jon Olav,

Sounds really interesting - the one reservation I'd have, however, is 
that HDF5 doesn't appear to be open-source.


Cheers,
James

Jon Olav Vik wrote:

Dear all,

I'm considering HDF5 for my storage needs in simulating a CellML model under 
multiple parameter scenarios. HDF5 is designed for efficient storage, 
retrieval, navigation and subsetting of huge data sets [1], with annotation 
[2]. I plan on storing both raw and post-processed data, so that if I detect 
problems at a higher level, I can go back and look at details and possibly re-
run those simulations. David Nickerson described a similar approach in an 
earlier post [3].


However, setting up the data structure with annotations for physical units and 
such is quite time-consuming. On the other hand, the CellML representation 
holds all the required information. It would be very helpful to auto-generate 
an HDF5 data structure to hold output from simulations of CellML models.


Such a tool should be fairly easy to write for someone familiar with both HDF5 
and CellML, and would apply to all possible CellML models. I guess it would be 
overly restrictive to make an output format part of the CellML metadata 
specification. However, offering a standard output format would save 
duplication of effort and make it easier to share simulation results for 
further visualization and analysis.


I'd like the opinions of the CellML regulars, in particular whether anything 
similar has been discussed previously.


Best regards,
Jon Olav Vik

[1] http://www.hdfgroup.org/about/hdf_technologies.html
[2] http://www.hdfgroup.org/training/HDFtraining/UsersGuide/MF_Annot.fm1.html
[3] http://article.gmane.org/gmane.text.xml.cellml.general/234/match=hdf5


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Re: [cellml-discussion] HDF5 licensing

2008-11-10 Thread James Lawson

My apologies - I should have looked a bit harder!

Randy Heiland wrote:
The claim below surprised me (since I used to know and work with many 
of the HDF group), so I had a look at the license for HDF5:


All rights reserved.

Contributors: National Center for Supercomputing Applications (NCSA) 
at the University of Illinois, Fortner Software, Unidata Program 
Center (netCDF), The Independent JPEG Group (JPEG), Jean-loup Gailly 
and Mark Adler (gzip), and Digital Equipment Corporation (DEC).


Redistribution and use in source and binary forms, with or without 
modification, are permitted for any purpose (including commercial 
purposes) provided that the following conditions are met:


   1. Redistributions of source code must retain the above copyright 
notice, this list of conditions, and the following disclaimer.
   2. Redistributions in binary form must reproduce the above 
copyright notice, this list of conditions, and the following 
disclaimer in the documentation and/or materials provided with the 
distribution.
   3. In addition, redistributions of modified forms of the source or 
binary code must carry prominent notices stating that the original 
code was changed and the date of the change.
   4. All publications or advertising materials mentioning features or 
use of this software are asked, but not required, to acknowledge that 
it was developed by The HDF Group and by the National Center for 
Supercomputing Applications at the University of Illinois at 
Urbana-Champaign and credit the contributors.
   5. Neither the name of The HDF Group, the name of the University, 
nor the name of any Contributor may be used to endorse or promote 
products derived from this software without specific prior written 
permission from THG, the University, or the Contributor, respectively.

---

I consider this about as close to open source as it gets and isn't 
much different that the CellML terms of use:  http://www.cellml.org/terms


-Randy


On Nov 10, 2008, at 6:00 PM, [EMAIL PROTECTED] wrote:



--

Message: 2
Date: Tue, 11 Nov 2008 11:42:28 +1300
From: James Lawson [EMAIL PROTECTED]
Subject: Re: [cellml-discussion] Auto-generate HDF5 from CellML?
To: CellML Discussion List cellml-discussion@cellml.org
Message-ID: [EMAIL PROTECTED]
Content-Type: text/plain; charset=iso-8859-1; Format=flowed

Hi Jon Olav,

Sounds really interesting - the one reservation I'd have, however, is
that HDF5 doesn't appear to be open-source.

Cheers,
James

Jon Olav Vik wrote:

Dear all,

I'm considering HDF5 for my storage needs in simulating a CellML 
model under

multiple parameter scenarios. HDF5 is designed for efficient storage,
retrieval, navigation and subsetting of huge data sets [1], with 
annotation
[2]. I plan on storing both raw and post-processed data, so that if 
I detect
problems at a higher level, I can go back and look at details and 
possibly re-
run those simulations. David Nickerson described a similar approach 
in an

earlier post [3].

However, setting up the data structure with annotations for physical 
units and
such is quite time-consuming. On the other hand, the CellML 
representation
holds all the required information. It would be very helpful to 
auto-generate
an HDF5 data structure to hold output from simulations of CellML 
models.


Such a tool should be fairly easy to write for someone familiar with 
both HDF5
and CellML, and would apply to all possible CellML models. I guess 
it would be

overly restrictive to make an output format part of the CellML metadata
specification. However, offering a standard output format would save
duplication of effort and make it easier to share simulation results 
for

further visualization and analysis.

I'd like the opinions of the CellML regulars, in particular whether 
anything

similar has been discussed previously.

Best regards,
Jon Olav Vik

[1] http://www.hdfgroup.org/about/hdf_technologies.html
[2] 
http://www.hdfgroup.org/training/HDFtraining/UsersGuide/MF_Annot.fm1.html 

[3] 
http://article.gmane.org/gmane.text.xml.cellml.general/234/match=hdf5



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[cellml-discussion] SBML is about to release L2v4

2008-11-05 Thread James Lawson

Hi all,

It looks like SBML is about to release SBML L2v4

From http://sbml.org/Community/Wiki

SBML Level 2 Version 4 will address pending issues logged in the SBML 
specifications issue tracker 
https://sourceforge.net/tracker/index.php?atid=894711group_id=71971set=custom_category=990156. 
Due to the editor's current work and travel schedules, and the desire to 
time the release of L2v4 with a release of libSBML that supports it, we 
are pushing back the release of L2v4 and libSBML to early-mid November 
2008.


Regards,
James
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
adr:;;University of AucklandNew Zealand
email;internet:[EMAIL PROTECTED]
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Re: [cellml-discussion] [Fwd: Visual model design and editing capabilities for CellML]

2008-10-29 Thread James Lawson

Likewise. Would be very interested to read this though.

Thanks,
James

Michael Cooling wrote:

ooo

something close to my heart

but unfortunately Abhishek I can't seem to open your document...hope 
it's not my machine...?


Regards,

Mike Cooling, PhD
Research Fellow
Auckland Bioengineering Institute
New Zealand
http://www.bioeng.auckland.ac.nz/people/mcoo001



Quoting Andrew Miller [EMAIL PROTECTED]:

Forwarding to cellml-discussion as this is the most appropriate 
mailing list.


 Original Message 
Subject: Visual model design and editing capabilities for CellML
Date: Thu, 30 Oct 2008 14:03:14 +1300
From: Abhishek Tiwari [EMAIL PROTECTED]
To: [EMAIL PROTECTED], Andrew Miller [EMAIL PROTECTED], David
Nickerson [EMAIL PROTECTED]



Hi all,
Here I am attaching a proposal document Visual model design and
editing capabilities for CellML, which I created long back and only
few of you have accessed the document. The document is more like a
conceptual sketch of how we can make CellML tools more user friendly
and versatile. I don't claim that this will be very useful for CellML
team especially when document is incomplete, but it can convey the
concepts and requirements. In recent there have been a lot of
discussion about metadata specification roadmap and I thought this
would be appropriate time to get  feedback from CellML team and other
users, as concept describe in document may need some extended versions
of these specifications. To develop a visual model design and editing
capabilities for CellML, we need
1) Defined set of symbols for network diagrams, like SBGN or Edinburgh
Pathway Notation but more optimized for CellML. (Do we need CellML
sepcific visual notations or  we should fallow existing  standards ? )
2) Model visual representation metadata specification (updated
http://www.cellml.org/Members/jlaw060/cellml-metadata-roadmap/), it
will be closely related with visual notation system we select for
CellML tools
The terms, definition and other requirements mentioned in proposal are
not standard at all, and open for comments and feedbacks.

thanks for valuable time and comments/suggestions.
Abhishek





This message was sent using IMP, the Internet Messaging Program.

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[cellml-discussion] CellML Metadata Specification development

2008-10-28 Thread James Lawson

Dear CellML community,

We are currently working on a roadmap for future developments in the 
CellML Metadata Specification.


We'd like to direct you to an initial draft of this roadmap at:

http://www.cellml.org/Members/jlaw060/cellml-metadata-roadmap/

This is a work-in-progress and still being updated daily, so we would 
very much appreciate any feedback or questions you might have.


Specifically, we would like to compile a draft CellML Metadata 1.1 
Specification in time for the 3rd CellML Workshop in April 2009, so this 
is the main area which we are seeking feedback for.


Kind regards,
James Lawson
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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Re: [cellml-discussion] Finalising CellML Metadata 1.0 specification

2008-10-09 Thread James Lawson



I just think that because the current draft has been clearly marked as
a draft that it is not unreasonable to correct known deficiencies
prior to releasing the a final 1.0 specification. I'm also a bit wary
of setting a precedent of finalising a specification with known
problems...
  
Just to clarify to people here, the main issue is that the link to the 
BQS spec is now out of date and broken. I doubt this will break anyone's 
dependencies.


begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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Re: [cellml-discussion] Finalising CellML Metadata 1.0 specification

2008-10-08 Thread James Lawson
It appears nobody has commented on this directly within 
cellml-discussion. I understand you hold some opposition to finalising 
what you believe to be a draft specification, Andre. Could you please 
elaborate?


The current consensus (for reasons Andrew mentions below) is that we 
should proceed with this with a view to creating the next version of the 
metadata specification as soon as possible so we can fix the problems 
with the current spec. Peter Hunter's proposed for this work timeframe 
is by April 2009, in time for the planned CellML / SBO / MIASE, BioPAX 
combined workshop.


Currently, the process for making final decisions on the specification 
is discussed in this past email:

http://www.mail-archive.com/cellml-discussion@cellml.org/msg00966.html

If anyone else has an opinion, please let us know. Additionally, if 
there is something you would like to see addressed in CellML metadata, 
please let us know. A collection of known issues can currently be found 
at: https://tracker.physiomeproject.org/show_bug.cgi?id=1406


Thanks,
James

Andrew Miller wrote:

Dear all,

I would like to draw your attention to tracker item 1405, which can be 
viewed at https://tracker.physiomeproject.org/show_bug.cgi?id=1405 . 
This tracker item proposes that a decision on finalising the CellML 
Metadata Specification be made on the 15th of October 2008. Please add 
any comments you may have on this on the tracker item (users without 
an account at the tracker already can create one), and add yourself to 
the CC list for the tracker item if you are interesting in receiving 
updates when others add comments.


From the tracker item:

The current draft of the CellML Metadata 1.0 specification has never been

finalised, but has been widely cited and adopted. The specification 
requires
work, but due to the number of people citing and adopting the draft, 
it would
make sense to finalise it as it is now, and then start work on the 
next value

of the specification to address these problems.

I propose that a decision on whether to finalise the specification be 
made on

the 18th of October 2008, by the group established for making such
specification decisions, based on community discussions prior to then.



Best regards,
Andrew
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Re: [cellml-discussion] CellML IRC

2008-08-27 Thread James Lawson
This makes sense, but I actually think it would be good to have a more 
casual medium for discussion that *isn't* highly linked up and 
searchable. Logs would certainly be useful, but the current media 
(mailing list, tracker etc.) are very much public fora.


David Nickerson wrote:

On Thu, Aug 21, 2008 at 7:02 AM, James Lawson [EMAIL PROTECTED] wrote:
  

Dear CellML community,

We have had an IRC channel in the past, but I believe that it fell into
disuse. I have been pretty interested in getting it going again for
sometime, so I thought I'd canvass interest. Who thinks they'd be
interested? I'd suggest we just put it on freenode...



If I remember correctly, while it did fall into disuse there was an
actual decision made not to continue with that line of community
communication. Especially now as the tracker is being proposed as the
place to have specific discussions that maybe are not of general
interest to the community, it would seem to me to be a bad idea to add
one more independent archive that would need to be searched by users
in order to ensure they cover all possible previous discussion
threads.

Perhaps if there was some way to integrate freenode searches into the
tracker search engine then this would make more sense? Better yet,
provide a single search and respond interface for the tracker, mailing
lists, and any other discussion forum and then people can easily
choose the most appropriate medium for them to interact on (with?).


Andre.
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Re: [cellml-discussion] OWL

2008-08-24 Thread James Lawson

Dear Randy,

Thanks for asking. Unfortunately that roadmap is somewhat embarrassing 
for us. We are currently undertaking a major reworking of the website, 
and once we finish setting out our plans, the roadmap is right at the 
top of my list of pages to rewrite. In the meantime, let me see if I can 
explain what we're up to with respect to OWL and ontologies. 
Unfortunately, the CellML team member who was primarily responsible for 
this project, and whose commentary you can find under the wiki section 
of the site on ontologies, is no longer with us. I have begun to take up 
the rope on this, but I am still really working on upskilling myself.


Sarala Dissanayake is working on writing up her PhD thesis, in which she 
presents her work on developing CellML-OWL. CellML-OWL aims to provide 
infrastructure for ontologies that can be used for annotation of models 
with biological and biophysical information. Sarala has developed a tool 
for visualisation of CellML models using CellML-OWL as well.


I'd direct you to Sarala ([EMAIL PROTECTED]) for more 
information on our current development in OWL and ontologies.


Kind regards,
James Lawson

Randy Heiland wrote:
As I continue to try to educate myself on CellML, I thought I'd ask 
the open-ended question - what are the latest thoughts/plans for OWL?  
I saw the web page:  http://www.cellml.org/cellml_roadmap, but noticed 
that it was about 4 yrs old, so thought I'd ask the list.


thanks, Randy
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[cellml-discussion] ABI CellML team meeting minutes for 2008-08-20

2008-08-24 Thread James Lawson

Dear CellML community,

The minutes for last Wednesday's meeting (2008-08-20) are now available at:
http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-08-20/

Kind regards,
James Lawson
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
adr:;;University of AucklandNew Zealand
email;internet:[EMAIL PROTECTED]
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[cellml-discussion] Towards a cyberinfrastructure for the biological sciences - progress, visions and challenges

2008-08-19 Thread James Lawson

Hi all,

I came across this paper today, and I think it outlines some interesting 
implications for the role of CellML, the CellML Model Repository and 
cellml.org as a community website in its vision of a holistic 
cyberinfrastructure for the biological sciences.


It can be found here: 
http://www.nature.com/nrg/journal/v9/n9/pdf/nrg2414.pdf


Kind regards,
James
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
adr:;;University of AucklandNew Zealand
email;internet:[EMAIL PROTECTED]
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url:http://www.cellml.org
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Re: [cellml-discussion] New Proposed Structure for the CellML Website

2008-08-18 Thread James Lawson

Hi Catherine,

Weren't we going to put this through the meeting on Wednesday first? Ah 
too late I guess :) Hopefully we don't get bombarded with feedback quite 
yet.


bw,
j


Catherine Lloyd wrote:

Dear All

Over the past few weeks a few of us at the ABI have been meeting on a 
regular basis to discuss the structure and content of the CellML website.


We have been through a site content audit, and have put together a 
proposal for the new site structure (attached).  Please note, this is 
the underlying structure, and although it will be related to the 
actual look of the new site, the two are not identical.


We have identified 6 major categories - plus site help as a 
necessary feature of any website.


We would appreciate it if you could take some time to review the 
proposed structure, and please get back to us with any comments or 
opinions that you may have.


Best wishes
Catherine





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Re: [cellml-discussion] New Proposed Structure for the CellML Website

2008-08-18 Thread James Lawson

Hi all,

Just one thing that might be missed here - an acknowledgements section. 
I would suggest that we create (ala sbml.org - see 
http://sbml.org/Acknowledgments ) specifically dedicated to our funding 
sources rather than continue our current approach of showing our funding 
sources in a sidebar on every page as we currently do. IMO, such a page 
should come under the 'About CellML' section.


Kind regards,
James

Catherine Lloyd wrote:

Dear All

Over the past few weeks a few of us at the ABI have been meeting on a 
regular basis to discuss the structure and content of the CellML website.


We have been through a site content audit, and have put together a 
proposal for the new site structure (attached).  Please note, this is 
the underlying structure, and although it will be related to the 
actual look of the new site, the two are not identical.


We have identified 6 major categories - plus site help as a 
necessary feature of any website.


We would appreciate it if you could take some time to review the 
proposed structure, and please get back to us with any comments or 
opinions that you may have.


Best wishes
Catherine





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Re: [cellml-discussion] New Proposed Structure for the CellML Website

2008-08-18 Thread James Lawson
And one more thing, while I think of it - we had a proposal in the ABI 
meeting a while back to start putting up copies of posters and 
presentations relevant to CellML on cellml.org, and while (IIRC,) we 
agreed that this was a good idea, we have not yet formally created a 
section on the site for this purpose because we were conducting the site 
review and content audit. So perhaps this would be a category to add 
under 'About CellML' - perhaps to be grouped with 'publications'?


On a related note, if anyone has suggestions for categories / 
architectures that might be useful in the future (if not right now,) 
we'd be very interested to hear. One such example might be a prospective 
'ontologies' section, which we discussed, but weren't sure where to put.


Kind regards,
James

James Lawson wrote:

Hi all,

Just one thing that might be missed here - an acknowledgements 
section. I would suggest that we create (ala sbml.org - see 
http://sbml.org/Acknowledgments ) specifically dedicated to our 
funding sources rather than continue our current approach of showing 
our funding sources in a sidebar on every page as we currently do. 
IMO, such a page should come under the 'About CellML' section.


Kind regards,
James

Catherine Lloyd wrote:

Dear All

Over the past few weeks a few of us at the ABI have been meeting on a 
regular basis to discuss the structure and content of the CellML 
website.


We have been through a site content audit, and have put together a 
proposal for the new site structure (attached).  Please note, this is 
the underlying structure, and although it will be related to the 
actual look of the new site, the two are not identical.


We have identified 6 major categories - plus site help as a 
necessary feature of any website.


We would appreciate it if you could take some time to review the 
proposed structure, and please get back to us with any comments or 
opinions that you may have.


Best wishes
Catherine





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[cellml-discussion] little b - shared models built from reusable parts

2008-07-24 Thread James Lawson

Hi all,

Has anyone encountered this before?

http://www.littleb.org/

The little b project is an effort to provide an open source 
http://www.opensource.org/ language which allows scientists to build 
mathematical models http://en.wikipedia.org/wiki/Mathematical_model of 
complex systems. The initial focus is systems biology 
http://en.wikipedia.org/wiki/Systems_biology. The goal is to stimulate 
widespread sharing and reuse of models.


The little b language is designed to allow biologists to build models 
quickly and easily from shared parts, and to allow theorists to program 
new ways of describing complex systems. Currently, libraries have been 
developed for building ODE 
http://en.wikipedia.org/wiki/Differential_equation models of molecular 
networks in multi-compartment systems such as cellular epithelia.


Little b is based in Common Lisp and contains mechanisms for rule-based 
reasoning, symbolic mathematics and object-oriented definitions. The 
syntax is designed to be terse and human-readable to facilitate 
communication. The environment is both interactive and compilable.


Kind regards,
James

begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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[cellml-discussion] ABI CellML team meeting minutes 2008-07-16

2008-07-20 Thread James Lawson

Dear CellML Community,

The minutes for last week's ABI CellML team meeting minutes are now 
available at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-07-17/

Comments are welcome and can be posted at the bottom of the page.

Kind regards,
James Lawson
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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[cellml-discussion] ABI CellML team meeting minutes for Wednesday 2008-07-09

2008-07-13 Thread James Lawson

Dear CellML community,

The ABI's CellML team meeting minutes for last week (2008-07-09) are now 
up at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-07-09/

Kind regards,
James Lawson
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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Re: [cellml-discussion] About guicellml

2008-07-07 Thread James Lawson

Hey Ely,

Sorry this email was ages ago but I didn't see it. I had never seen 
guiCellML before, but I do know now that it was made by a guy called 
David Cumin who works at the Auckland Bioengineering Institute with us. 
You're welcome to give him an email at [EMAIL PROTECTED]


Kind regards,
James

Ely Edison Matos wrote:

Hello,
I found this video about guicellml. Do someone knows about that? Some 
site, some download...?
 
http://nz.youtube.com/watch?v=NowuAlSsUus
 
Thanks,

Ely
 



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[cellml-discussion] ABI CellML team meeting minutes

2008-07-06 Thread James Lawson

Dear CellML community,

The ABI CellML team meeting minutes for Wednesday 02/07/08 are now 
available at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-07-02/

Kind regards,
James Lawson
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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[cellml-discussion] from Wired: The end of theory: the data deluge makes the scientific method obsolete

2008-06-24 Thread James Lawson

Hi all,

Thought I'd see what you guys and girls think of this article, and its 
relevance to CellML, systems biology etc.


http://www.wired.com/science/discoveries/magazine/16-07/pb_theory

This is a world where massive amounts of data and applied mathematics 
replace every other tool that might be brought to bear. Out with every 
theory of human behavior, from linguistics to sociology. Forget 
taxonomy, ontology, and psychology. Who knows why people do what they 
do? The point is they do it, and we can track and measure it with 
unprecedented fidelity. With enough data, the numbers speak for themselves.


Some of my thoughts: when we have bioinformatics servers processing 
similar amounts of information to the Google servers, then we'll need to 
rethink how we do things. The question is, how long will that be? And is 
information that encodes a model more useful than information that just 
codes data, considering that the model can produce more information?


Kind regards,
James
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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[cellml-discussion] ABI CellML team meeting minutes 2008-06-18

2008-06-19 Thread James Lawson

Dear CellML folk,

The ABI CellML team meeting minutes for 2008-06-18 are now available at:
http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-06-18/

Kind regards,
James Lawson
begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
adr:;;University of AucklandNew Zealand
email;internet:[EMAIL PROTECTED]
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Re: [cellml-discussion] unit conversion

2008-06-02 Thread James Lawson

Thanks Erik,

I managed to fix the issue before receiving your email, but this clears 
things up for me very concisely. I would venture to say that the reason 
that so many CellML models in the CellML repository do not pass Jsim's 
units checking is not because of CellML, or any tools used to create 
CellML models. Rather it is often because the models themselves contain 
unit inconsistencies. It does not help that units are irrelevant to most 
modelling tools, but I think the modelling community is starting to 
raise the bar with regards to this issue. Unfortunately it is often 
quite difficult to 'fix' inappropriate units (both quantitatively and 
qualitatively,) in a model without breaking it.


FYI I've uploaded the model in question, which now runs in Jsim, COR and 
PCEnv, at:

http://www.cellml.org/models/sachse_moreno_abildskov_2008_version02

The 'auto' setting for the integrator in Jsim will not run the model - 
the CVode integrator must be selected manually.


Kind regards,
James Lawson

Erik Butterworth wrote:

On Thu, 29 May 2008, Andrew Miller wrote:


I think James had something more along the lines of:
I_inter_fibro = 10^6 * (V_fibro - V) / R_mf
(where 10^6 is marked as a dimensionless number).

In this case the intention of the modeller is that the expression 
being equated to I_inter_fibro is already in nanoamps, and this will 
give the correct results in PCEnv and COR, I believe.


I agree that it would be better modelling practice to mark 10^6 as 
being in units nanoamps per milliamps, and in this case PCEnv and COR 
will give correct results of 1E6 nanoamperes (and I presume also JSim?).


  Short answer: yes.

  Long answer:  JSim has two unit conversion modes, on and off.  With 
conversion on, the simplest correct formation in MML is


  1. I_inter_fibro = (V_fibro - V) / R_mf;

  With unit conversion off,  the simplest correct formation is:

  2. I_inter_fibro = 10^6 * (V_fibro - V) / R_mf;

  With either unit conversion on or off, a dimensionalized constant 
will produce correct results, at the expense of conciseness:


  3. I_inter_fibro = (10^6 nanoamp/milliamp) * (V_fibro - V) / R_mf;

  To be compatible with (my understanding of) the CellML units spec, 
JSim's CellML - MML converter creates MML with unit conversion on. 
However, due the the historically large (although perhaps decreasing) 
number of CellML models that didn't pass JSim unit balance, the JSim 
WWW site provides (for CellML models not passing unit balance) an 
imperfect MML translation with unit conversion off.  This allows the 
models to be compiled and run, even if they may need conversion factor 
editing. Even if the CellML model doesn't pass JSim unit balance, it 
would still run correctly if all needed conversion factors were in the 
CellML in form #3 above.


  Hope this helps,

Erik B.





At least my reading of the CellML specification is that tools should 
not be automatically inserting conversion factors like this when 
processing CellML models, although they may optionally warn the user 
that a conversion factor may be missing and / or offer to insert it 
for them.


Best regards,
Andrew



Erik Butterworth[EMAIL PROTECTED]206-685-2007

On Thu, 29 May 2008, Andrew Miller wrote:


Date: Thu, 29 May 2008 11:29:50 +1200
From: Andrew Miller [EMAIL PROTECTED]
To: James Lawson [EMAIL PROTECTED]
Cc: James Lawson [EMAIL PROTECTED], [EMAIL PROTECTED]
Subject: Re: unit conversion

James Lawson wrote:

Hi Andrew, Justin,

Thanks for your help. Basically, I've had to multiply a current by 
a scaling factor of 1 million to get the model to run in PCEnv. It 
was made in Jsim and worked fine, but now I have a model that will 
run in PCEnv but not Jsim. Do you guys have any idea about what I 
could do to get it running in both? Would showing you the model 
help? I could email the Jsim guys and ask them if I knew what to 
ask.. It seems like Jsim doesn't really convert nanoamps into 
10e-6 amps and work with the value from there, whereas PCEnv does. 
Would this be right?


Basically the issue that I have addressed is that units for the 
variables in the equation for I_inter_fibro aren't dimensionally 
equivalent:


The equation is: I_inter_fibro =(V_fibro - V) / R_mf

Where I_inter_fibro is in nanoamperes, V_fibro and V are in 
millivolts and R_mf is in ohms. So the equation says that nanoamps 
= millivolts / ohms. Thus I have changed the equation to say 
I_inter_fibro = 1e+06 * (V_fibro - V) / R_mf

Hi James,

What are the units on the 1E6 scaling factor? If you put them in 
nanoamps_per_milliamp or something like that, then I think all 
software should do the right thing. Automatically inserting the 
conversion factor is not the correct software behaviour however; at 
most software should be flagging the problem and helping the user 
to insert the factor if they decide there is an actual problem.


Best regards,
Andrew



So at the moment I do not know how to get the model to run in both 
PCEnv and Jsim

[cellml-discussion] (OT) the nature of 'mole' | Re: unit conversion

2008-06-02 Thread James Lawson

Hi guys,

This is a little OT for CellML-discussion, IMO.


Although you can technically talk about a mole of anything, 


I take issue with this. You can talk about 6.23e26 of anything, but when 
you talk about a mole of something it *MUST* be atoms or molecules. It 
is not just a term like 'score' where you can have a 'score' of anything.|


Wikipedia explains this pretty succinctly.

According to the SI, the mole is not dimensionless, but has its very 
own dimension, amount of substance, comparable to other dimensions 
such as mass and luminous intensity. (By contrast, the SI specifically 
defines the radian and the steradian as special names for the 
dimensionless unit one.)


A mole specifically refers to a large number of atoms.

The ampere is a base unit, along with the metre, kelvin, second, mole, 
candela  and the kilogram: it is defined without reference to the 
quantity of electric charge.


So the mole is essentially comprised of a scaling factor applied to 
'stuff' where 'stuff' is in the form of 'atom/molecule.' I recognise 
that this is 'according to the SI' - but when we're talking about units, 
consensus on what the unit means is extremely important.


Kind regards,
James
the way it 
is used by the SI system of units, it is always talking about a mole of 
some kind of particle, whether that particle is an electron or some 
large protein. As such, mole, when used in this sense, truly is a unit 
as the term is used in CellML, rather than just a scaling factor (and in 
fact, it would make sense to define a 'particle' derived unit in terms 
of mole using a multiplier of the inverse of Avogadro's number).


  

We might also include built-in scaling factors for converting between
prefixes. For example if I have
a variable A in nanomolar and another B in micromolar I might want to say:

A = 1e3 * B

One way to do this is to define a scaling factor unit say (in CORspeak)

   def unit nanospermicro from
   unit liter {pref: nano};
   unit liter {pref: micro, expo:-1};
   enddef;

and then have

A = 1e3 {nanospermicro} * B.

Which is slightly clunky.
  



This is a perfectly valid way of expressing the model, and if necessary, 
editing tools could help the user to create such units as required - we 
shouldn't complicate the specification substantially for processing 
tools based on what might make it easier to do something with current 
editing tools, because editing tools will have to change for CellML 1.2 
anyway.


  

(I think the use of 'liter' above should also be replaced with
'dimensionless', but that is a different issue).
  

It doesn't really make sense to say nanodimensionless per 
microdimensionless, I prefer nanolitres per microlitre even though you 
need to duplicate it if you have other conversion factors.
  

We could also include dozen, which would aid the bakery-modelling community
too ;).
  



If we are talking about dozens of particles, that can already be done in 
terms of moles easily using multiplier 12 / nA (i.e. 1.99264653979527 * 
10^-23)


Best regards,
Andrew

  

-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of Peter Hunter
Sent: Tuesday, 3 June 2008 11:35 a.m.
To: CellML Discussion List
Subject: Re: [cellml-discussion] unit conversion

Hi Mike,

I agree - but there they are in the SI base unit list see
http://physics.nist.gov/cuu/Units/units.html
so probably 150 years too late to do much about it!

Cheers,
Peter

Mike Cooling wrote:
  

Does it strike anyone else as inconsistent that 'moles' are a unit 
when moles are just a scaling factor? Like dozen. Maybe they should be 
implemented using 'multiplier' or similar rather than a base unit.


For example, I could have a mole of amps. I couldn't have a second of

  

amps.
  


-Original Message-
From: [EMAIL PROTECTED]
[mailto:[EMAIL PROTECTED] On Behalf Of James 
Lawson

Sent: Tuesday, 3 June 2008 11:07 a.m.
To: Erik B
Cc: cellml-discussion@cellml.org
Subject: Re: [cellml-discussion] unit conversion

Thanks Erik,

I managed to fix the issue before receiving your email, but this 
clears things up for me very concisely. I would venture to say that 
the reason that so many CellML models in the CellML repository do not 
pass Jsim's units checking is not because of CellML, or any tools used 
to create CellML models. Rather it is often because the models 
themselves contain unit inconsistencies. It does not help that units 
are irrelevant to most modelling tools, but I think the modelling 
community is starting to raise the bar with regards to this issue. 
Unfortunately it is often quite difficult to 'fix' inappropriate units 
(both quantitatively and

qualitatively,) in a model without breaking it.

FYI I've uploaded the model in question, which now runs in Jsim, COR 
and PCEnv, at:

http://www.cellml.org/models/sachse_moreno_abildskov_2008_version02

The 'auto' setting for the integrator in Jsim will not run the model - 
the CVode

Re: [cellml-discussion] in case you haven't seen it | Why Are Computational Neuroscience and Systems Biology So Separate?

2008-06-02 Thread James Lawson

Hi folks,

Pretty interesting read. I actually came to what I do now through a 
heavy cellular neurosci background so this disconnect between systems 
biology and neurosci is something that has really bugged me. They 
mention in the paper that SBML doesn't provide the spatial support 
needed for it to be useful to computational neuroscientists. CellML with 
its emphasis on multiscalar integration and modularity along with 
FieldML to describe the geometric information could address these issues.


Also, I'm always interested in how CellML is represented in these kinds 
of publications. It is usually seen (as in this paper,) by systems 
biologists as a competing language for describing systems biology, which 
is understandable but only partly true. I think we need to seriously 
market CellML as a Physiome language, a lot more than we do. This will 
be a topic in the upcoming paper about the CellML repository I'm 
starting to put together - that is: the name of the software is Physiome 
Model Repository 2 - what has it got to do with the Physiome Project then?



Kind regards,
James

David Nickerson wrote:

Why Are Computational Neuroscience and Systems Biology So Separate?
http://www.ploscompbiol.org/article/info%3Adoi%2F10.1371%2Fjournal.pcbi.178 



some interesting comments, although not totally accurate...


begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
adr:;;University of AucklandNew Zealand
email;internet:[EMAIL PROTECTED]
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Re: [cellml-discussion] in case you haven't seen it | Why Are Computational Neuroscience and Systems Biology So Separate?

2008-06-02 Thread James Lawson

Hi Peter,

I guess I framed it as a question to the community, but it was more of a 
leading question that I'd like to address in the paper on the 
repository. What I'm really talking about is the common preconception 
that SBML and CellML are designed to fill the same niches. The niches 
overlap but are not the same; I see the idea of CellML as part of the 
Physiome Project as being quite a powerful way of explaining its niche.


With respect to the existence of multiple standards, I would go even 
further: it is essential to have more than one standard for representing 
this kind of information, lest the standard define the field, rather 
than the field defining the standard.


Cheers,
James Lawson


Peter Hunter wrote:

Hi James,

Re your final question - the Physiome Project at the moment is largely 
about (i) the development of the markup languages CellML and FieldML 
( maybe ModelML for the physics) and their associated model 
repositories and software tools, and (ii) strategies for bridging 
spatial and temporal scales. I see no reason at all not to include 
neuroscience in this picture - in fact there are a number of 
initiatives relating to a 'brain physiome' just getting underway. The 
essence of the Physiome is the recognition of the need to link models 
of structure and function across spatial scales from nm to m and 
temporal scales from brownian motion to human lifetime turnover of 
proteins. Easy to say ...


While CellML and SBML are in some way competing standards, both 
communities are helping one another greatly by promoting the idea of 
modelling standards .. and provided we can convert between them, 
there's no particular disadvantage in having two standards.


Cheers,
Peter

James Lawson wrote:

Hi folks,

Pretty interesting read. I actually came to what I do now through a 
heavy cellular neurosci background so this disconnect between systems 
biology and neurosci is something that has really bugged me. They 
mention in the paper that SBML doesn't provide the spatial support 
needed for it to be useful to computational neuroscientists. CellML 
with its emphasis on multiscalar integration and modularity along 
with FieldML to describe the geometric information could address 
these issues.


Also, I'm always interested in how CellML is represented in these 
kinds of publications. It is usually seen (as in this paper,) by 
systems biologists as a competing language for describing systems 
biology, which is understandable but only partly true. I think we 
need to seriously market CellML as a Physiome language, a lot more 
than we do. This will be a topic in the upcoming paper about the 
CellML repository I'm starting to put together - that is: the name of 
the software is Physiome Model Repository 2 - what has it got to do 
with the Physiome Project then?



Kind regards,
James

David Nickerson wrote:

Why Are Computational Neuroscience and Systems Biology So Separate?
http://www.ploscompbiol.org/article/info%3Adoi%2F10.1371%2Fjournal.pcbi.178 



some interesting comments, although not totally accurate...


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Re: [cellml-discussion] ModelDB

2008-05-29 Thread James Lawson

Thanks Andre,

I have seen this before, not sure if they've done a lot of work on it 
since I last looked or whether I just missed how cool it is :) The 
individual model pages are excellent. They're well designed and very 
well populated with useful information, just fantastic.


They have an awful lot of neuronal models, which is great - something 
we're missing on the CellML repository.


http://senselab.med.yale.edu/modeldb/FindByRegionList.asp is pretty 
interesting.


I'm actually a little bogged down with other work at the moment but 
hopefully I should be able to get back to the ontology work next week.


Cheers,
James

David Nickerson wrote:

Hi James,

Not sure if you have seen it, but ModelDB has an ontology-like 
interface for browsing the models that they have.


http://senselab.med.yale.edu/modeldb/

No idea if it is actually driven by some kind of ontology, but seems 
kind of useful.


Andre.




begin:vcard
fn:James Lawson
n:Lawson;James
org:Auckland Bioengineering Institute;CellML Model Repository Curator, CellML Team
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[cellml-discussion] ABI CellML team meeting minutes for 2008-05-28

2008-05-29 Thread James Lawson

Hi all,

The ABI CellML team meeting minutes for this week (2008-05-28) are now 
up at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-05-08/*

*Kind regards,
James Lawson
begin:vcard
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n:Lawson;James
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adr:;;University of AucklandNew Zealand
email;internet:[EMAIL PROTECTED]
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[cellml-discussion] ABI CellML team meeting minutes 2008-05-32

2008-05-22 Thread James Lawson

Dear all,

The ABI CellMl team meeting minutes are now up at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-05-21/?portal_status_message=Changes%20saved.

Kind regards,
James Lawson
begin:vcard
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n:Lawson;James
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Re: [cellml-discussion] ABI CellML team meeting minutes 2008-05-32

2008-05-22 Thread James Lawson
Apologies, that link should be 
http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-05-21/


James

James Lawson wrote:

Dear all,

The ABI CellMl team meeting minutes are now up at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-05-21/?portal_status_message=Changes%20saved. 



Kind regards,
James Lawson
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Re: [cellml-discussion] CelOWS - a draft

2008-05-19 Thread James Lawson

Hi Ely,

I started reading your pdf yesterday but unfortunately got distracted by 
other major work, but I will definitely be reading it hopefully will be 
getting some feedback to soon.


Kind regards,
James

Ely Edison Matos wrote:

Hello all,
I'm sharing my work to integrate CellML with ontologies. As I said in 
previous message this is a initial work. This was developed as a 
Master thesis, at Computational Modeling Program, at UFJF (Federal 
University at Juiz de Fora). Juiz de Fora is a small town at Minas 
Gerais, Brazil.
From now, I apologize for bad English. I hope that main ideas can be 
understandable. The attached paper is from a submitted paper 
(unfortunately it was not accepted) with some additions. But it is 
just a digest of the main work and many topics is missing.
A 3 min. avi file is avaible from http://kenobi.cpd.ufjf.br/celo. It 
shows a sample use of the application prototype, using atomic 
components extracted from a Noble model and Hodking-Huxley model. It 
aims to make the idea more clear, but it is just a simplified sample.
 
I thank for the opportunity for sharing the work and I hope that the 
ideas could be useful in some level.
 
Ely Edison Matos

UFJF/Brazil


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Re: [cellml-discussion] Suggestions regarding search and browse utility for CellML Repository

2008-04-30 Thread James Lawson

Hi Abhishek,

Good to hear from you, you make some very good points. I apologise if 
someone has already raised these points, I've just come back after being 
away for a couple of weeks and I'm going through my many unanswered emails.


So at the moment, one of the things I am thinking a lot about is 
ontological annotation of CellML models. I've just been to visit Neil 
Wipat's lab at the University of Newcastle, and I talked quite a lot 
with him and members of his group about ontologies and how they might be 
of use to the CellML community. So one of the things that the new CellML 
repository will handle much better than the current one is the manner in 
which a user can view models and their interrelationships, whether these 
are based directly on CellML relationships such as import based 
modularity or whether they are based on relationships inferred from 
ontological tags.


I'll definitely have a look at MeSH - what we're planning to do (I 
believe) is let the CellML-Bio Ontology import as much as possible from 
other ontologies, and let Sarala's ontological framework stand as our 
contribution. Where we conclude that there is no ontology that covers 
what we are trying to do in a satisfactory manner, we'll create our own. 
I can see this happening in the area of synthetic biology, which is only 
just starting to be represented by formats like CellML and SBML. So a 
tree-like browsing structure as constructed from MeSH tags or similar 
could be one of a number of different ways of viewing the models. You 
could also do searching by terms, or construct trees according to terms. 
For example, you could have 'species' as the top level and 'organ' as a 
lower level, and 'cell type' as the bottom. So then you'd get a tree 
sorted first by species, then by organ type, say heart, pancreas, liver, 
etc. and then by cell type, so within the heart: myocardium, epicardium, 
etc. etc.


The possibilities for how we display fully tagged models are huge, so we 
do need to form some kind of system of constraints - or at least provide 
a set of default viewing architectures based on what workflows we 
anticipate for users.


When we decompose models into modular elements, this kind of tagging is 
going to be absolutely crucial for model reusability and for the process 
of figuring out what module you want and where to get it.


As far as the technology for web services and programmatic access to the 
repository database, that isn't something we've thought about much until 
now, but on our travels Mike and I have realised that this is really 
quite important. In fact, it was often one of the first questions I was 
asked when I was discussing the CellML repository. A lot of people are 
seeing the repository not simply as a database containing individual 
models, but as an dataset in and of itself. We need to work on this - 
I'm told Mike mentioned it at the Auckland CellML meeting last week.


Hope you found this of some interest,
James

Abhishek Tiwari wrote:
As growing no of models in CellML repository I feel that CellML 
Repository can be made more user friendly by implementing one or more 
suggestions mentioned below-
1. A Tree like browsing mechanism in which end child node of tree will 
have model. For that we need to have classification system for the 
models based on Physiological system or better say using MeSH (Medical 
Subject Headings,something like 
http://www.nlm.nih.gov/cgi/mesh/2008/MB_cgi). Models can be in multiple 
classes and basically model metadata can have details for the 
classification purpose like keywords. Domain ontologies can be used to 
give better description for tree like representation.
2. For a given model at the end of overview similar models (basic or 
improved models or more complex models) can be reported (Similar to 
model variants).
3. Web services to search and download CellMl models for non ABI tools ( 
  using  CellMl API or Web API for CellMl).


I don't know if efforts to handle above is under development or already 
exists so I thought to write you all.


abhishek

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[cellml-discussion] differences between CellML and SBML for modelling hepatic glycogenolysis

2008-04-07 Thread James Lawson

Hi all,

I just came across this essay while looking for commentary on the 
differences between CellML and SBML. I don't believe it is peer reviewed 
- rather a graduate student's essay, but it does provide an interesting 
perspective.


http://doi.wiley.com/10.1002/pmic.200600438

Kind regards,
James Lawson
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Re: [cellml-discussion] differences between CellML and SBML for modelling hepatic glycogenolysis

2008-04-07 Thread James Lawson
How terribly unobservant of me. My apologies to the author of this 
article if he is reading this.


James

Edmund J. Crampin wrote:

It's a review article in Proteomics - certainly peer reviewed.

Edmund

James Lawson wrote:

Hi all,

I just came across this essay while looking for commentary on the 
differences between CellML and SBML. I don't believe it is peer 
reviewed - rather a graduate student's essay, but it does provide an 
interesting perspective.


http://doi.wiley.com/10.1002/pmic.200600438

Kind regards,
James Lawson
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Re: [cellml-discussion] differences between CellML and SBML for modelling hepatic glycogenolysis

2008-04-07 Thread James Lawson
Sorry to spam everyone again - I gave the wrong link. This is the one I 
meant to refer to:

http://www.ucl.ac.uk/~ucbptag/work/tg_essay1.pdf

Kind regards,
James

James Lawson wrote:
How terribly unobservant of me. My apologies to the author of this 
article if he is reading this.


James

Edmund J. Crampin wrote:

It's a review article in Proteomics - certainly peer reviewed.

Edmund

James Lawson wrote:

Hi all,

I just came across this essay while looking for commentary on the 
differences between CellML and SBML. I don't believe it is peer 
reviewed - rather a graduate student's essay, but it does provide an 
interesting perspective.


http://doi.wiley.com/10.1002/pmic.200600438

Kind regards,
James Lawson
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[cellml-discussion] ABI CellML team meeting minutes for 2008-04-02

2008-04-03 Thread James Lawson

Hi all,

The ABI CellML team meeting minutes for this week (2008-04-02) have been 
posted at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-04-02/

Kind regards,
James
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[cellml-discussion] ABI CellML group meeting 2008-03-05

2008-03-06 Thread James Lawson

Hi all,

The ABI CellML group meeting minutes for this week's meeting - 
2008-03-05 are now up at:

http://www.cellml.org/meeting_minutes/abi-meeting-minutes-2008-03-05/

Kind regards,
James Lawson
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[cellml-discussion] Auckland CellML Group Meeting Minutes (2008-02-20)

2008-02-21 Thread James Lawson

Hi all,

The minutes for this week's ABI CellML meeting have been posted at: 
http://www.cellml.org/meeting_minutes/meeting-minutes-2008-02-20/?portal_status_message=Changes%20saved. 



Kind regards,
James Lawson
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[cellml-discussion] [Fwd: [Synthetic Biology] BBF working groups, SB4.0, and standard workshop]

2008-02-03 Thread James Lawson

Thought some of you folks might be interested in this:
---BeginMessage---

Hello,

A quick three part email providing updates on several important  
synthetic biology activities happening now.


*** 1. BBF working groups ***

The BioBricks Foundation (BBF) is launching four working groups.

The first group is SB4.0  If you want to organize a special topic  
discussion or session at the Fourth International Conference on  
Synthetic Biology (October 2008), sign up for this group.


The second group is Technical.  If you want to wrestle Tom Knight,  
working to define exactly what the heck a BioBrick standard biological  
part is, then please join this group.


The third group is Legal.  If you want to sue everybody then please  
don't join this group.  But, if you want to help with figuring out the  
specific legal scheme that will keep BioBrick parts free to study,  
use, and modify, then join up here.


The fourth group is Volunteers.  If you want to help with the  
workings, leadership, or activities of the BBF itself, or represent  
the BBF at meetings around the world, then this is the group for you.   
Somebody has to keep this thing running!


Each working group will bring people like you together to discuss and  
work on issues important to the synthetic biology community.  Note  
that you can join more than one group.  And, if you don't like what  
you see, you can quit.


Join up by subscribing to one or more of the appropriate mailing lists  
here:

http://openwetware.org/wiki/The_BioBricks_Foundation:MailingLists

In launching these groups, the BBF is hoping that a diverse community  
from many countries, schools, companies, and organizations will  
continue to come together as synthetic biology develops, so that the  
technology of biology reaches its best constructive potential, and is  
available for all to use.


*** 2. SB4.0 ***

The Fourth International Meeting on Synthetic Biology will take place  
10-12 October 2008 at HKUST in Hong Kong.  Given everything that is  
happening, and how much there is still to do, SB4.0 is going to be an  
amazing meeting.  The organizers of the meeting, myself included,  
can't pretend that we understand everything that should be presented  
or discussed at the conference.  Thus, we are asking for your help.   
If you would like to suggest a topic for discussion, or organize a  
breakout session, or can suggest whatever would work best for a  
particular idea, please let me know.  We are developing tremendous  
resources in support of SB4.0 (including significant travel  
assistance) and will work very hard to make all good ideas happen.  If  
you want to be part of a broader discussion on SB4.0 organization,  
please join the working group (as per above).   Conference website here:

http://syntheticbiology.org/Synthetic_Biology_4.0.html

*** 3. Legal and Technical Standard Workshop ***

The BBF had a great kickoff workshop at MIT last November, discussion  
the legal scheme for BioBrick standard biological parts, and also  
defining and launching an open technical standards process for  
synthetic biology.  Building on this success, the next workshop (and  
our first west coast meeting) will take place on March 1 at UCSF in  
San Francisco.  If you want to attend or call into the meeting, please  
register (for free) here:

http://openwetware.org/wiki/The_BioBricks_Foundation:Workshop2

*** BONUS ***

If you want to join the BBF as a member, that's free too.  Sign up here:
http://openwetware.org/wiki/The_BioBricks_Foundation:Membership

Be great!
Drew

_

Drew Endy
http://mit.edu/endy/
http://biobricks.org/

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Re: [cellml-discussion] Survey on opinions for the backwards compatibility levels for future CellML Specs

2008-01-10 Thread James Lawson
Good points. Re: Peter's mention of the European groups taking up CellML 
as per their funding commitments, and his comment that 2008 promises to 
be a very busy year indeed for us, I think we can hedge our bets on the 
latter.


Kind regards,
James

Randall Britten wrote:

Hi all

I think the policy depends on the answer to these two questions:

1) In terms of how widely CellML has been adopted worldwide, how does the
current status compare to what we expect in say 6 months, and say a year
from now?  
2) How successful have we been in terms of achieving the vision of CellML?


If we think CellML is about as popular as it ever will be, and that the
current version is essentially good enough, then our emphasis may be on
compatibility.  However, if we think that the rate of adoption will increase
dramatically at some point in the future, and that there is a lot of room
for improvement, then it may be better to break compatibility now, while it
is still early enough, but we have learnt enough to make one of the next
versions a lot better than the current version.

My impression is that we are in the latter position.

Regards,
Randall

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Re: [cellml-discussion] Survey on opinions for the backwards compatibility levels for future CellML Specs

2008-01-08 Thread James Lawson

Andrew Miller wrote:

Hi all,
  

Hi, thanks for providing a nice intro to this issue Andrew.
There have recently been some discussions of changes which would 
drastically break forwards or backwards compatibility of CellML (for 
example, changing the way that connections work).


I think that it is important that we come to some consensus on what the 
policy for inter-version compatibility in CellML should be quite soon, 
because this drastically affects decisions that need to be made in 
CellML specification development.


It doesn't really make sense to be inconsistent with respect to version 
compatibility - it would be quite unfortunate if we worked hard to keep 
compatibility for one part of CellML, and then broke it in another major 
part such as by changing the way connections work, and so I think we 
need a policy on this.
  
I certainly agree with you that we need to keep policy consistent. 
However the possibility that immediately came to mind is that we could 
group versions of the specification with respect to interversion 
compatibility. If we have major decisions to make regarding the 
continuing integrity of the language that might break compatibility, I 
think we must reserve the right to do this, giving careful consideration 
of the impact to the community of course. For example, if we were to 
break compatibility of 1.0 and 1.1 with 1.2, but have 1.3 and 1.4 
compatible with 1.2, this would reduce development workload compared 
with a policy of not requiring version compatibility between successive 
versions at all. Perhaps this is an approach we might want to take 
between, say CellML 1.X and CellML 2.X - that is, we reserve major 
changes that will break compatibility for major versioning events.
I have come up with a number of different potential policy statements on 
when backwards compatibility should be broken and when it should be 
kept. It might help us to reach consensus if members of the CellML 
community could rank the policies in order of preference (1 is the most 
preferable policy, 2 the next most, and so on), and suggest any good 
policies that may be missing.


Option A)
Future versions of CellML should aim to solely express the intention of 
previous versions better and more clearly. They should aim to keep full 
compatibility with an implementation of the specification according to 
the rules of the specification as they were interpreted by implementors.


Option B)
Future versions of CellML should try to be mostly compatible with 
existing implementations of previous versions of CellML. They may remove 
functionality that does not have an established base of software which 
correctly implements that functionality. They may also add in new 
functionality, if that new functionality significantly increases the 
expressiveness of the language. However, in normal circumstances, 
compatibility should be maintained, so that when a model not using new 
features is saved in the new version's most preferred format, it can 
still be correctly loaded into software only supporting the old version. 
Likewise, a model not using any removed features should be able to be 
loaded in software supporting only the new version of the specification.


Option C)
Future versions of CellML should make any changes which make it 
conceptually cleaner, even if there is a less clean compromise available 
that would have lesser compatibility implications. Software will need to 
explicitly support more than one version as a completely separate format.


My preferred choice is Option B. Despite being apparently at opposite 
ends of the spectrum, Option A and Option C are, in my opinion, fairly 
similar, because if we adopted Option A, larger changes would appear in 
a new specification called something other than CellML. Although there 
could be advantages of coming up with a more meaningful name than 
CellML, I think that this would also set us back in terms of community 
awareness of the specification, and so I think that Option C is 
marginally better than Option A (i.e. my personal order of preference is 
currently B:1, C:2, A:3).
  
I would have to concur - out of those three possibilities, B would be 
preferable.


Kind regards,
James
  
I look forward to any feedback on this you may have.


Best regards,
Andrew

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[cellml-discussion] [Fwd: Re: application 'ML']

2007-11-20 Thread James Lawson

From Steven Niederer (through Gareth):
---BeginMessage---

Hi everyone,

this from Steven in Oxford, via the CellML Webmaster account. Please let 
me know if there is a more appropriate contact I can forward this mail to.


thanks, Gareth


Steven Niederer wrote:

Hi guys,

Just checking if there was any work been done on the following:

1) creating maps of variable names to allow a user (me) to define a 
variable that I want to change in a one file and have that mapped onto 
the corresponding variable in a model. (I am batch processing analysis 
of 20+ models at the moment)


ie I wish to set value for  intracellular calcium. I want to call the 
variable Cai but in the models that I have it is called cai, Cai  and 
Ca_i etc. so I wish to create a wrapper for each model to map the 
variables to a standard name.
Is there any work been done on things like this and if so is their a 
recommended format for the mapping wrapper?


2) Defining virtual experiment protocols.

After defining the model variables that I wish to set as model outputs 
or inputs I would like to define how the input variables are set and 
if I want any post processing to be done on my output signals.
Again I wondered if there was a proposed format for these types of 
descriptions.



Any suggestions would be great.

cheers

Steven Niederer



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[cellml-discussion] cellml in synthetic biology

2007-10-28 Thread James Lawson
Here's a really interesting project (IMO) that seems to be pretty keen 
on using Cellml.

http://openwetware.org/wiki/Talk:Registry_of_Standard_Biological_Models
http://openwetware.org/wiki/Registry_of_Standard_Biological_Models/Registry_organization

Openwetware is a big MIT based initiative to create a forum for and 
standardise synthetic biology.

Seems to me they need some info on CellML... and some support. The first 
link talks about SBML (Mike Hucka is quoted,) but also mentions that 
multiscale modelling will be essential, which isn't something that SBML 
could call its forte. We, however, can.

So don't mind if I do... ;)

James

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Re: [cellml-discussion] Physiome Project issue tracker now available

2007-10-16 Thread James Lawson
Hi all,

I'd just like to recognise Andrew and Randall, amongst others, for all 
their hard work on this. Since we got the tracker running internally a 
couple of months ago we've generated over 200 tracker items, and dealt 
with many of them.

Good work guys :)

James

Andrew Miller wrote:
 Hi all,

 We have now got an issue tracker for the CellML and other 
 physiome-related projects available at 
 https://tracker.physiomeproject.org/ .

 This tracker is open to the public, and will accept 'tracker items', 
 which could be questions, reports of bugs or feature suggestions for 
 CellML / Physiome related software / web services / websites, problems 
 or suggestions related to repository models, issues relating to the 
 CellML specifications, and a wide range of other similar items 
 (essentially, anything piece of information related to the physiome 
 project that needs to be tracked and will eventually be marked as 
 'resolved' at some definite point in time).

 The tracker allows anyone to create an account and add themselves to the 
 CC lists of existing tracker items - this provides a convenient way to 
 follow the progress of issues you are interested in. After creating an 
 account, anyone is also able (and encouraged) to submit new tracker 
 items, comment on existing tracker items, and make other similar changes 
 to the tracker item database.

 If you find any problems with the tracker itself, then please submit a 
 tracker item (log in, then choose Submit Bug Report [navigation area 
 on the left] = cellml.org site = Choose 'CellML Tracker' as the 
 component and fill in the rest of the form). If you are unable to create 
 a tracker item, then you can let me know of the issue by e-mail.

 Best regards,
 Andrew

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Re: [cellml-discussion] how to units make a difference to simulation

2007-08-06 Thread James Lawson
Alan Garny wrote:
 -Original Message-
 From: [EMAIL PROTECTED] [mailto:cellml-discussion-
 [EMAIL PROTECTED] On Behalf Of James Lawson
 Sent: 06 August 2007 00:40
 To: For those interested in contributing to the development of CellML.
 Subject: [cellml-discussion] how to units make a difference to
 simulation

 Hi all,

 Recently Catherine said that she had a model that was running but not
 producing the right output. Instead of producing a train of spikes, it
 was just producing some kind of curve flattening off at an asymptote.
 Then when she changed some units on a relevant variable from
 dimensionless to the right units, she got the nice spiking output.

 As for myself, I've been looking at a model which has both a normal
 version and a scaled/non-dimensionalized version. When I consulted him
 about the output I was getting and which equations I should be using
 from his paper, the model author suggested that I use the
 non-dimensionalised set of equations, since the model describes a very
 stiff problem, and as such, that is what the ND'd equations are there
 for. Wheras before I was just getting curves that looked nothing like
 I
 want, I am now getting trains of spikes.

 I realise the first example might be slightly different from the first
 (damn I am sick of people who don't know how to write English, the
 Americans, that is, telling me I need a 'z' everywhere!) but...

 The point/question I want to raise here, is how does PCEnv / other
 simulators treat units? Is it possible that some of the models in the
 repository simply don't run or produce the right outputs because of
 the
 units? If so, this would be news to me! It would also be frustrating
 given the number of times we have to guess or spend hours poring over
 equations trying to work out the units of a variable.
 
 Hi James,
 
 As you know we (Catherine, you and I) spent a bit of time this morning
 trying to understand some models. One of the models that Catherine has been
 working on had problems with units. My understanding is that PCEnv didn't
 pick those problems up, while COR did. Correcting the problems, Catherine
 was able to get the model to work (I believe there might still be another
 problem, but not related to units this time).
 
 Anyway, the view we have now taken in Oxford is that models shouldn't have
 any problem related to units. 

I absolutely agree that models should not have units problems. The
problem is that many of them do, and, speaking for myself, I do not have
the skills or the knowledge to know how to rearrange someone else's
model to fix the units. Especially with big models, it can just get too
complex. I'd like to see unit checking in PCEnv, but I wouldn't want a
model with bad units to not run - I'd just want error messages telling
me there is a problem.

This means that, dimensional equivalences,
 which are allowed in the CellML specification, are not acceptable to us.
 We should always have strict equivalences. E.g. A = B+C (with A and B in mV,
 while C in V) would be seen as being dimensionally equivalent and OK in
 regards to the CellML specification (and therefore COR, since it will only
 generate a warning). Yet, we would modify the equation so that it now reads:
 A = B+1000{millivolt_per_millivolt}*C. This may not be a great example, but
 I think you got the gist of it.
 
 The idea is, therefore, to have models that have no unit issues *at all*. I
 appreciate that this may seem a bit restrictive, but we have had so many
 issues with units over the years that we believe it will be worth it in the
 long term.

This would be great. I think it needs to start with the model authors
though, which is where standards such as MIRIAM come in.

 
 Alternatively, we could have the software doing units conversion for the
 user... but that's another issue... and I understand that some are against
 that idea.

Again, this is a feature that it would be useful to be able to turn on
and off. However I think in most cases the software will not be smart
enough to figure out what the units should be.

 
   Alan.
 
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[cellml-discussion] how to units make a difference to simulation

2007-08-05 Thread James Lawson
Hi all,

Recently Catherine said that she had a model that was running but not
producing the right output. Instead of producing a train of spikes, it
was just producing some kind of curve flattening off at an asymptote.
Then when she changed some units on a relevant variable from
dimensionless to the right units, she got the nice spiking output.

As for myself, I've been looking at a model which has both a normal
version and a scaled/non-dimensionalized version. When I consulted him
about the output I was getting and which equations I should be using
from his paper, the model author suggested that I use the
non-dimensionalised set of equations, since the model describes a very
stiff problem, and as such, that is what the ND'd equations are there
for. Wheras before I was just getting curves that looked nothing like I
want, I am now getting trains of spikes.

I realise the first example might be slightly different from the first
(damn I am sick of people who don't know how to write English, the
Americans, that is, telling me I need a 'z' everywhere!) but...

The point/question I want to raise here, is how does PCEnv / other
simulators treat units? Is it possible that some of the models in the
repository simply don't run or produce the right outputs because of the
units? If so, this would be news to me! It would also be frustrating
given the number of times we have to guess or spend hours poring over
equations trying to work out the units of a variable.

Thanks,
James Lawson
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Re: [cellml-discussion] Using PCEnv 2.0

2007-07-25 Thread James Lawson
Alan Garny wrote:
 Hi Ely,
 
 I have the feeling that this might a locale issue. In Brazil, the decimal
 separator is ,, while it is . in New Zealand (where PCEnv 0.2 is being
 developed). So, while 0.3 will be a valid floating point number in, at
 least, English speaking country, it won't be in Brazil (and a few other
 countries for that matter!). So, for things to work for you, you would need
 to have 0,3 instead. This being said, PCEnv should maybe force the use of
 . as a decimal separator and , as a thousand separator, independent of
 the locale. COR, for examples, does that.
 
 Anyway, a quick fix for you would be to switch to an English-based locale
 whenever you use PCEnv, at least until a fix for PCEnv is available
 (assuming I have properly diagnosed the problem!).
 
   Best wishes, Alan.

I saw this and I thought I ran that model not more than a few days
ago... - it would never have crossed my mind that he might have been
using the wrong separator. I hope you're right and it isn't something
more obscure. Good work :)

James

 
 -Original Message-
 From: [EMAIL PROTECTED] [mailto:cellml-discussion-
 [EMAIL PROTECTED] On Behalf Of Ely Edison Matos
 Sent: 25 July 2007 21:01
 To: CellML Discussion List
 Subject: [cellml-discussion] Using PCEnv 2.0

 Hello,
 My name is Ely Matos. I'm studying CellML Models in a academic project.
 I've
 downloaded PCEnv 2.0 and some models from repository. But my first use,
 loading the file hodgkin_huxley_1952_version06.cellml show a strange
 error:

 Error: Variable g_L has initial_value 0.3 which isn't a valid floating
 point
 number, nor a valid variable name within that component.

 How can I fix it? The Integrate button don't appear.

 Sorry, if here is not the right to place to this question (if so, plz,
 indicate the right place..:-))

 Thanks,
 Ely Matos
 Federal University of Juiz de Fora - Brazil



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Re: [cellml-discussion] CellML 1.1.1 specification

2007-07-19 Thread James Lawson
David Nickerson wrote:
 Matt wrote:
 It seems there is some misunderstanding as to whether we are discussing
 a proposal to remove the reaction element from CellML or a proposed new
 specification. I thought it was the latter but you seem to be talking
 about the former...

 Both. I think.

 So I will try another explanation.

 If we had our specification in a version control system and tagged out
 releases and release candidates etc, and if we followed a protocol of
 releasing at least one stable minor release that marks depreciation
 only, then the following would be the result (in my mind)

 - The current trunk is the development version of cellml 1.2 (i.e.
 unreleased-dev).
 - This current trunk look likes CellML 1.1 and the associated
 definitions in DTDs etc.
 - We update this to mark out that reaction elements are going to be
 depreciated, this includes comments in DTDs etc. We don't remove
 reaction elements from the specification at this stage because that's
 where we hang the depreciation notices.
 - We tag this as 1.1.1 and release it
 - We then delete reaction elements from the specification that is on trunk.

 Now, this is the kind of process I think covers the steps you have
 been talking about and at the end makes available a trunk version of
 1.2-dev-unreleased that doesn't have reaction elements that people can
 check out an play with (this is essentially the proposal page the
 Andrew wrote up - though I think there are issues remaining now with
 the absence of biology from a Cell ML standard.
 
 yep - thats how I would see the specification evolving over time, 
 subject, of course, to the various proposals being accepted and assigned 
 to an appropriate version.
 
 I think the absence of biology from the core specification is probably a 
 good thing, 

It might be worth adding an editorial comment or similar to note that
the metadata is where the vast majority of biological information is
defined.

but there needs to be clear annotation of the specification
 describing how reactions should now be represented in a world without 
 reactions - another best practice recommendation and examples in the 
 model repository at the least, I would hope.

Yep, the 'signal transduction' tutorial will no longer be needed, since
its main purpose is to describe the best practice for use of reaction
elements to describe biochemical pathways. The question will be, do we
just remove it, or do we create a new tutorial that is biochem specific,
but doesn't talk about reaction elements. For example, there are two
main ways to code up a biochem model: either you can use equations that
describe, for example, the rate of change of conc. of species A, where
species A might have a few different processes acting on it, so this
equation would be a summation of the effect of these processes, OR, you
can split the equation into 'fluxes,' which represent just the effect of
one process on a species at a time. I think it would be worth writing a
best practice guide for writing biochem models, even if it is relatively
short, since there are a few things that are different from how an ephys
model should be coded up.

 
 But what I am also saying is that this is still just an idea, so it
 should be put forward as a proposal that has not been accepted. I.e.
 that the steps I described above are purely hypothetical at the
 moment, since we haven't had the chance to hear arguments from people
 about it - it might turn out to be a silly proposal.
 
 definitely. Your steps describe the process for how the specification 
 may be updated, developed, etc., but each release will be the result of 
 a set of proposals being accepted and assigned to that particular release.
 
 this is why the proposal to remove the reaction element should have 
 first been put forward independently of any specific future version of 
 CellML. 

Perhaps we could start by formalising the actual proposal to get rid of
the rxn element. Why are we doing it? How will we replace the purpose it
served, using metadata for example? I realise that this has been
discussed a lot in an informal manner, and was in fact decided well
before my time, but I guess if we're going to do something as major as
create a new spec version, we should build the foundations first.

In this discussion forum we could then debate the merits of this
 proposal and, if deemed suitable, develop a schedule for the 
 implementation of the proposal (i.e., mark reaction element for 
 deprecation in 1.1.1 and then remove the reaction element in 1.2). Other 
 proposals would also be similarly evaluated and possibly assigned to the 
 same or different releases of the CellML specification.
 
 It definitely should not, at this stage, be a forgone conclusion that 
 the reaction element should be removed in 1.2 (or some specific future 
 version of CellML) - that is still open to discussion in my mind,

It would be good to see a thorough list of pros and cons for the rxn
element.

If we do write a 

Re: [cellml-discussion] embedded stimulus currents in CellML models

2007-07-19 Thread James Lawson
Matt wrote:
 On 7/19/07, David Nickerson [EMAIL PROTECTED] wrote:
 Of course. And in the same sense you could simply delete the stimulus
 protocol component if you didn't want it. I think the issue is in fact a
 curation issue - we are specifying one of our curation 'levels' as
 model is the same as is described in the paper. If there is a stimulus
 protocol that isn't in the paper in the CellML model, then this curation
 standard is invalidated. This is fine, as it (hopefully) moves the model
 up to the next 'level,' which requires that the model be able to produce
 the appropriate output, but doesn't necessarily require that the model
 be identical to that described in the paper. So the solution is that we
 should really have both.
 
 So there is validation in the sense that there is a true
 representation of a publication - which more often than not is pretty
 useless, and there is validation in the sense that the model can
 demonstrate what we think was intended by the publication (most
 obviously produces the right results) but perhaps many changes in the
 underlying formulation.
 
 Is it ok to only offer the former as a historical version? 

I guess it depends if you define all versions that are not the most
recent version as 'historical.' What does historical mean here exactly?
But essentially, I think it's okay if it's noted in the model
documentation - perhaps a note on why the model won't run in a
simulator, and that this particular version might be better for
multicellular networks where the stimulus is externally defined? It's a
pretty simple matter to get a model to the point where it is complete
except for a stimulus protocol, upload it as version x, then add the
stimulus protocol and upload that as version y. To be honest, if people
are wanting to fiddle around with multicellular systems they probably
know what they're doing enough to be able to identify and delete an
extraneous stimulus component they don't want. The documentation will
identify it as 'foreign.'

and should
 it be necessary to actually do the former if we can easily see where
 the math needs to be written out differently?

Hmm, if it doesn't really take any effort to do, then the only reason
(besides the above,) I can think of not to do this, is that it just
creates extra versions that aren't particularly useful.

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Re: [cellml-discussion] embedded stimulus currents in CellML models

2007-07-18 Thread James Lawson
Alan Garny wrote:
 Shouldn't we therefore offer at least two different sets of CellML
 1.0
 files? One that only contains the model itself and another that also
 includes some simulation specific information?
 I actually replied to this somewhere else - I'll repeat it...
 We just talked about this issue in the meeting. We decided that it was
 probably worth providing one with and one without. Obviously the one
 without would not be able to be simulated in PCEnv or COR.
 
 You could still easily modify the model for your own purpose in COR (and the
 same in PCEnv, I believe).
 

Of course. And in the same sense you could simply delete the stimulus
protocol component if you didn't want it. I think the issue is in fact a
curation issue - we are specifying one of our curation 'levels' as
model is the same as is described in the paper. If there is a stimulus
protocol that isn't in the paper in the CellML model, then this curation
standard is invalidated. This is fine, as it (hopefully) moves the model
up to the next 'level,' which requires that the model be able to produce
the appropriate output, but doesn't necessarily require that the model
be identical to that described in the paper. So the solution is that we
should really have both.

This is the kind of issue that really needs to go in a tracker.

 Though CellML 1.1 is the obvious way to go, we have to accept the
 fact that
 most CellML users probably only use CellML 1.0.
 But is that because they a.) don't need 1.1, b.) don't know how to use
 1.1 or c.) want to use 1.1 but don't because the repository doesn't
 support it? I suspect it is either a or c, since most people would find
 out how to use 1.1 if it was a tool they thought would be useful.
 
 Depending on the end-user, it could be a, b and/or c, as well as the fact
 that apart from PCEnv, no other CellML-capable software that I am aware of
 can deal with CellML 1.1 models. This emphasises my view that we have to
 make the CellML API easy to use and provide several examples of its use.
  

This is a good point. There is no point simply criticising other
software because it doesn't make use of 1.1. We need to ask why this is,
and if there is anything we can do to make it easier for developers to
make their software 1.1-capable. I think this is definitely an area
where you could be very useful, since you can take a fresh look at the
API, whereas it is much harder for someone like Andrew to take a step
back from it.

   Alan.
 
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Re: [cellml-discussion] embedded stimulus currents in CellML models

2007-07-18 Thread James Lawson
Alan Garny wrote:
 Depending on the end-user, it could be a, b and/or c, as well as the
 fact
 that apart from PCEnv, no other CellML-capable software that I am
 aware of
 can deal with CellML 1.1 models. This emphasises my view that we have
 to
 make the CellML API easy to use and provide several examples of its
 use.

 http://cellml.sourceforge.net :-)
 
 That is a good start indeed. Now, I am waiting for you to write the
 documentation... :)
  
   Alan.
 
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I was actually trying to get CellML2Dot running. I didn't try very
hard... It's in the cellml-discussion archives (or if not the
team-cellml, but I think the former.)

It would definitely be cool to get some basic documentation for these
tools. If you have a go at installing CellML2Dot in Linux Alan, let me
know. I'd like to see Andre's simulator too. How does it differ from
PCEnv or COR Andre?
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[cellml-discussion] CellML2Dot

2007-06-27 Thread James Lawson
Hi Andre,

In the workshop you showed us a slide of a program you'd made for
debugging models that showed all the connections etc. Is this that
program? I tried to get the source off subversion but it didn't work. Do
you have any tips on getting this tool to work?

Thanks,
James
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Re: [cellml-discussion] Proposal: Local CellML team e-mail addresses

2007-06-26 Thread James Lawson
Andrew Miller wrote:
 Hi,
 
 There has been some discussion recently about how best to handle local 
 CellML addresses (which can be used by local groups with an interest in 
 CellML to arrange meetings and hold other discussions which are purely 
 local in scope and not of interest to the broader CellML community).
 

Something I didn't think of before... surely most other groups already
have a mailing list that serves their group's interest anyway... What
would make it worthwhile for them to actually swap over to an official
cellml list?

 At the University of Auckland, we have a list for the Auckland CellML 
 team. However, I feel that some of the discussion on that list would 
 probably better occur on the cellml-discussion mailing list (or another 
 more public forum). After discussing this at our Auckland CellML group 
 meeting, it was suggested that perhaps similar issues are arising at 
 other localised groups working on CellML. To this end, we came up with a 
 rough proposal (which I expand on below) which I hope will help both the 
 Auckland group and other groups using CellML to collaborate.
 
 Please note that this is just a proposal, and I would welcome feedback 
 on how we can improve it. I would be especially interested to hear 
 opinions from other groups outside Auckland using CellML.
 
 Proposal:
 
 1) Groups can request location@cellml.org mailing lists.
   a) Any group which is working on a CellML related project may [follow 
 some procedure which needs to be decided] to request a mailing list for 
 discussion of location specific matters related to their CellML project.
   b) The e-mail address requested shall follow the format 
 location@cellml.org, where location is replaced with a short word, 
 phrase, or abbrevation which describes the geographical location of the 
 group concerned.
   c) The location name should be sufficient to uniquely distinguish the 
 group from other separate groups that may wish to work on CellML. List 
 names are subject to review to ensure that they are unlikely to conflict 
 with another group or cause confusion.
 
 2) Location-specific mailing lists to have open membership and be 
 publicly archived.
   a) Any person may join any location-specific mailing list without 
 moderator approval, regardless of their actual geographic location.
   b) All location-specific mailing lists shall have a publicly readable 
 archive, hosted at cellml.org.
 
 3) Scope and posting rules for location-specific mailing lists.
   a) All messages posted to location-specific mailing lists must be 
 related in some way to CellML, or to tools which process CellML, or to 
 the operation of groups with an interest in CellML. Some degree of 
 leeway should be afforded by cellml.org administrators here, as long as 
 the list is not being used as a free hosting service for work not even 
 vaguely related CellML.
   b) Message posters are strongly encouraged to send messages which may 
 be of broader interest to the cellml-discussion list rather than to the 
 location-specific address.
   c) The location-specific mailing lists must not be used for 
 information which is of a private or confidential nature (after all, it 
 is an open membership list with a public archive).
   d) All posters to location-specific mailing lists agree that their 
 messages may be further distributed (with attribution to them), 
 including by forwarding to the cellml-discussion list or by inclusion in 
 public bug-trackers (and also agree to the translation of their messages 
 into another language).
   e) The location-specific groups may establish their own additional 
 posting rules by their normal decision-making process, as long as these 
 posting rules do not conflict with the general rules described here. 
 These posting rules may include (without limitation) the scope of the 
 list, who is allowed to post to the list (but not who can subscribe) and 
 how often, and the permitted language(s) of any posts to the list.
 
 4) Administration and moderation of location-specific mailing lists.
   a) Each location-specific group shall determine their own process for 
 the control of their own mailing lists, and their nominated 
 administrator will be provided with a password allowing them access to 
 the administrative interface.
   b) Group designated administrators are free to change the settings of 
 the groups location-specific CellML mailing list (after changes are 
 approved through the appropriate local decision-making processes). 
 However, they must not make changes which cause the mailing list 
 archives to be no longer public, or which cause the list to require 
 moderator approval before allowing subscriptions.
   c) Group designated administrators may also (in accordance with 
 locally determined policies) subscribe and remove people from their 
 mailing lists are a service to the person being added or removed. 
 Administrators may infer that a person wishes to be added or removed 
 from the 

Re: [cellml-discussion] [team-cellml] @cellml.org addresses

2007-06-25 Thread James Lawson
Matt wrote:
 This seems like it's going in circles. I'm not really sure why anyone
 would want to contact us personally with something they didn't want to
 send to the list. 

Wasn't this originally your suggestion?

Thinking about this more we should probably try:
 
 1) cellml-discussion@cellml.org
 
 2) [EMAIL PROTECTED] - for specific enquiries that you don't want
 publicly available. It would make sense to have a nominated person or
 persons that address mail in there - James I would think - who decides
 if an email should be forwarded to the list because it really is a
 public issue - or respond and acknowledge the email and seek a
 response from those in the team that it seems appropriate to.
 
 3) a team page where everyone who is on the team-cellml list has a
 picture and a small blurb (kind of like http://sbml.org/contacts/) ...
 which is really just to give a face to those who are quite deeply
 involved. I would imagine people like Penny Noble to be on that. If
 someone contacts someone on that page then it will likely be quite
 personal.
 
 On 6/25/07, Andrew Miller [EMAIL PROTECTED] wrote:
 David Brooks wrote:
 See below...

 On 25/06/2007 4:32 p.m., Andrew Miller wrote:
 James Lawson wrote:

 Andrew Miller wrote:

 I don't think we should use the word 'project team' because there is no
 formal project team. Perhaps we can just have a list of people
 categorised by their interest in the CellML project, and then a contact
 page which helps people find certain people (for example, we could have
 a category for technical issues with cellml.org, which would list Tommy,
 a category for people with the ability to curate cardiac
 electrophysiology models, which would list James, and a category for
 people with an interest in cardiac electrophysiological modelling, which
 would list anyone who wanted to be on the list).

  There is then the issue of whether we use our own email
 addresses or @cellml.org addresses. Andre is keen on the latter, and I
 agree.

 Although I am not entirely convinced that it is necessary or beneficial,
 and I think that we risk harming the community nature of CellML by
 saying that only certain people can get a cellml.org e-mail address.


 Surely there's no harm in having a small number of generic @cellml.org
 email addresses that reflect the roles people play? (eg
 [EMAIL PROTECTED], [EMAIL PROTECTED], [EMAIL PROTECTED]). I don't
 think it's a good idea to have lots of these addresses (as this can
 get confusing), nor should the roles be too specialised.
 We have tried this in the past, and it resulted in the fragmentation of
 the community, and it had several negative outcomes:
 1) People were sending all messages of a given type to the aliases,
 instead of to the list. However, because these aliases were closed
 mailing lists with generally out of date membership, mails sent to the
 lists were essentially getting forgotten about when there were people on
 the main list who could have answered the message.
 2) There was no archive so there was no way to tell if a question was
 answered.
 3) People often referred to e-mails sent to these lists at the CellML
 meetings, but it was hard to tell what they were talking about because
 only some people at the meeting got the messages.
 4) Because the aliases were open, they got a lot of spam, which made it
 hard to see the signal over the noise.
 5) Because the traffic was fragmented, it looked to anyone looking at
 the cellml-discussion archives like there was nothing happening with the
 CellML project.

 As a result of this, we decided over a year ago to get rid of info,
 tools and other lists like that and consolidate them all into
 cellml-discussion. I don't really think we want to go back to the way it
 was before without addressing all the problems it caused last time.

 Best regards,
 Andrew


 Regards,

 Dave
 

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Re: [cellml-discussion] model upload problems

2007-06-24 Thread James Lawson
Sounds like this is something we should broadcast with a megaphone.
There is probably nothing that would irk someone more than uploading a
file and it not working.

James

Tommy Yu wrote:
 David Nickerson wrote:
 Hi,

 I just tried to load the attached model into the model repository to use 
 as an example with the graphing metadata specification but am having 
 some problems.

 Firstly, it didn't pick up some of the model metadata during the upload 
 process. At least there were some empty text boxes presented to me that 
 I would have expected to be filled with the metadata from the model. Not 
 sure if that is an error in the upload process or an error in my model 
 metadata? These boxes are still empty later when I got to the metadata 
 editor.

 
 Hi Andre,
 
 Your metadata is fine, it did get picked up.  However, the namespace is 
 CellML 1.1 which the XSLT that generates the documentation (from the 
 tmp-documentation namespace) do not support.  Ditto for CellML - MathML XSLT.
 
 I see that it is just one file, so I changed it to 1.0 and repository thinks 
 it's okay now.
 
 Kind Regards,
 Tommy.
 
 I managed to get it into the repository as 
 http://www.cellml.org/models/sine-approximations_version01 but it 
 doesn't really seem to work. The overview page just says: error occurs 
 during transform. See error log - can I see the error log somewhere or 
 is this just for the site admin to see? The view math tab gives and XML 
 parsing error - a bit strange since I can run simulations of the model 
 fine using my tool based on the CCGS and API and the code generation tab 
 works fine and gives me the expected C code.

 Anyone have any suggestions?


 Thanks,
 Andre.



 

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Re: [cellml-discussion] Concerning the CellML Model Repository | version/variant metadata?

2007-06-24 Thread James Lawson
My $0.02 on this is (please forgive me if I get some of the technical
stuff mixed up):

The current naming scheme is as it translates to the web address is:
author(s)_date_versionXX_variantXX

I think it should be author(s)_date_variantXX_versionXX instead, since
IMO, one should be thinking in terms of versions of variants, rather
than variants of versions.

Also, I think that if there were perhaps some metadata that could
pertain to what version and variant a cellml file is, and also some
'sub'metadata under variant to say what the variant represents, whether
it's a particular cell type or what.

I realise that metadata isn't supposed to be added to a model for the
sake of a repository or for any non-generalised purpose, but I think
that version/variant metadata would be useful.
E.g. for 1.1 models, a simulator could pick this metadata up. So you
could bring up window in which the software could tell you that, for
example, you are embedding this version of this markov model of an
L-type Ca++ channel, by such and such et al., into a variant 02 -
epicardial cell Pandit et al. cardiac cell model, etc. etc.
Another example would be working with CellML 1.1 models in an era where
we have a library of components that people can use. We might have a
GPCR component which has a large number of variants, and it would be
crucial for the simulation/editing programs like PCEnv to know, and be
able to tell the user, which version and variant of each component they
are using. People might want to swap in different variants to see how if
affects their model etc.

And of course this version/variant metadata would obviously be highly
useful (IMO) for the repository. Maybe subversion could automatically
write this metadata.

 What I'm really trying to say is that I think there is justification
for version/variant information to be stored in metadata as well as the
URI naming scheme, since, unless I'm missing something, there is useful
information (both for repositories and simulator software) that can't be
 stored in the URI.

James

 
 - Version/Variant
 It already clogged up the system.  There is no proper revision control 
 mechanism, what we have now is an ad-hoc emulated system.
 
 I don't think it has clogged the system I just think it has been
 improperly used both by authors and by the user interface. 

Ideally the users and authors shouldn't be presented the option to make
mistakes like this, should they? Most people, I would imagine, don't
care about the versions of a model unless they are actually working
on/with it.


This is no
 fault of the authors, there is simply a specification for versioning
 that is missing. The hope is that subversion applies well to this.


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Re: [cellml-discussion] model upload problems

2007-06-24 Thread James Lawson
Loading http://www.cellml.org/models/sine-approximations_version01 in
PCEnv, the graph has three traces, but only one of them shows (sin1). Is
this supposed to happen?

So the idea of this graphing metadata is to fulfil a similar function to
that of session files?

I had a look at the spec but it's a bit technical for me to completely
grasp it.

David Nickerson wrote:
 James Lawson wrote:
 Sounds like this is something we should broadcast with a megaphone.
 There is probably nothing that would irk someone more than uploading a
 file and it not working.
 
 or perhaps, if possible without too much effort, to detect XML files 
 uploaded which don't have a document element of model in the CellML 1.0 
 namespace and give the user an error and not accept the model?
 
 
 Andre.
 
 James

 Tommy Yu wrote:
 David Nickerson wrote:
 Hi,

 I just tried to load the attached model into the model repository to use 
 as an example with the graphing metadata specification but am having 
 some problems.

 Firstly, it didn't pick up some of the model metadata during the upload 
 process. At least there were some empty text boxes presented to me that 
 I would have expected to be filled with the metadata from the model. Not 
 sure if that is an error in the upload process or an error in my model 
 metadata? These boxes are still empty later when I got to the metadata 
 editor.
 Hi Andre,

 Your metadata is fine, it did get picked up.  However, the namespace is 
 CellML 1.1 which the XSLT that generates the documentation (from the 
 tmp-documentation namespace) do not support.  Ditto for CellML - MathML 
 XSLT.

 I see that it is just one file, so I changed it to 1.0 and repository 
 thinks it's okay now.

 Kind Regards,
 Tommy.

 I managed to get it into the repository as 
 http://www.cellml.org/models/sine-approximations_version01 but it 
 doesn't really seem to work. The overview page just says: error occurs 
 during transform. See error log - can I see the error log somewhere or 
 is this just for the site admin to see? The view math tab gives and XML 
 parsing error - a bit strange since I can run simulations of the model 
 fine using my tool based on the CCGS and API and the code generation tab 
 works fine and gives me the expected C code.

 Anyone have any suggestions?


 Thanks,
 Andre.



 

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Re: [cellml-discussion] [team-cellml] @cellml.org addresses

2007-06-24 Thread James Lawson
Andrew Miller wrote:
 James Lawson wrote:
 David Nickerson wrote:
   
 I see the project team is being the core management team for the CellML 
 project - essentially the group that should be making the decisions when 
 consensus can't be reached and setting the goals for the future of the 
 CellML project. Although I'm really not too sure who would be included 
 in such a group.
 
 At present, CellML meetings are open to anyone who wants to attend 
 (although obviously the fact that they are held in Auckland limits that 
 set from a lot of people who want to attend), and 'final' decisions are 
 made at the meetings by whoever turns up.
 Just the management team? Perhaps I'll get a list of who exactly is on
 the 'team-cellml' list and that can be the initial list. Plus Penny, on
 Peter's request.
   
 The team-cellml list is not intended to be a list of people involved in 
 the management of CellML, and membership on that list is not supposed to 
 imply any sort of increased status with the CellML project (it is merely 
 supposed to be an Auckland-local list for meeting notifications and so 
 on). I don't think we have ever refused to subscribe anyone who wanted 
 to be on that list from being on there (subscription requests only 
 require approval to keep spammers off and to ensure that people realise 
 that it is not the main CellML list).
 
 In terms of the policy for allocating addresses, we don't want to become 
 a free e-mail redirection host for anyone on the Internet, but I think 
 as long as someone at least has some connection with CellML, they should 
 be allowed an alias (subject to review of what that alias is to ensure 
 it is unlikely to cause confusion or conflict with future lists / 
 aliases we might want to assign).
 
 I suggest that we simply give an @cellml.org alias to anyone who asks 
 for one and has a demonstrated interest of some kind in the CellML 
 project (whether they are a modeller using CellML, a tool developer, or 
 interested in some of the theoretical or mathematical aspects of 
 CellML). Simply providing a form to fill out providing details to list, 
 and having someone briefly review them should be sufficient to keep out 
 people who just want the e-mail alias.
 

So perhaps we could have two groups - the main cellml team, and then the
cellml community. We'd probably want those on different, linked pages.

 P.S. Peter is away from today until the 20th July, getting back to the
 office on the 23rd, if you didn't get the email.
   
 I would like to see this mailing list used as more of place for decision 
 making so that things like this shouldn't affect the project.
 
 I think cellml-discussion@cellml.org is much more appropriate for such 
 discussions than the team-cellml list, to which only e-mails which are 
 unlikely to be relevant outside of the Auckland group should be sent. 
 This has been agreed on at CellML meetings (before you were working on 
 the CellML project), and unless that decision is revisited I think we 
 should all try to abide by it to ensure that no-one outside of Auckland 
 who wants to contribute to CellML is unable to post (the list is 
 publicly indexed so others could read it if they wanted to, but if they 
 are not on the list they might be unaware that discussions are taking 
 place).
 Well, it does get a fair amount of traffic. Although it seems to mainly
 just be you, Matt, Tommy and I, and occasionally Andrew. It was nice to
 see some others like Winfred Li and Jonathan Cooper posting on the
   
 Having high traffic on the list does at least demonstrate that the 
 CellML project is still active. That said, I agree that being on a 
 moderate traffic mailing list when you are only interested in one thing 
 is probably a little bit annoying (I have to manage how many mailing 
 lists I get on because it does add up once you are getting a few 
 messages a day from dozens of lists).
 
 We can't make the list completely open for posting by non-subscribers 
 (because we would get a lot of spam, as has been a problem with previous 
 open @cellml.org lists). However, we could have a system were users have 
 to confirm their own message to ensure they use a valid sender address. 
 The only problem would be ensuring that we copy people on the threads 
 that they started (although with a bit of coding we could make mailman 
 do this automatically as long as the thread header got kept correctly by 
 the UA).
 
 Best regards,
 Andrew
 cellml-discussion list the other day.

   
 Maybe you could go for a compromise Andre and use [EMAIL PROTECTED]
 or something :)
   
 I like the sound of that :-)
 

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Re: [cellml-discussion] curation status of models in the repository

2007-06-21 Thread James Lawson
No, there are no stars, anywhere, that are on by default. They are all
off by default until someone, probably me, certifies that the model
meets the requirements to get itself a star, or two. Or maybe three.

 
 its more whether that one star is on or off by default?
 


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Re: [cellml-discussion] a detailed curation specification

2007-06-21 Thread James Lawson
I have been thinking about this and I think it's worth proposing
formally. But is having a whole level all about units consistency
justified? Perhaps there are other things we could add to this level
that could similarly require the intervention/expertise of the model
author? I can't think of anything off the top of my head right now.


David Nickerson wrote:
 Just one comment here. That is, if you look at the level 2 curation
 requirements, the only one that isn't satisfied by most of the models
 I've given two stars is the unit checking. So what this means is that we
 have a bunch of models which are much better curated than the level 1
 curated models, but there isn't any way to actually show that if we
 aren't going to let them be level two. This is related to your point
 about splitting up the curation levels, and there are many models which
 would require actually reformulating the model completely to get units
 consistency (which would probably require the author getting involved.)

 If we did move units consistency up to level three, I think it would
 make things more straight forward.
 
 Rather than moving units consistency up to level 3 it would probably be 
 better to move what is currently level 3 up to 4 and make level 3 all 
 about units consistency.
 
 I think for the time being I'm going to take a left-wing approach and
 spend more time fixing the models that are completely broken.
 
 which I think is the right thing to be doing, I just think we need to be 
 careful that the status advertised for a given model matches the 
 definition of that status.

Yep. I feel like biting off something I can chew right now.

 
 
 David.
 

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Re: [cellml-discussion] a detailed curation specification

2007-06-21 Thread James Lawson
David Nickerson wrote:
 I have been thinking about this and I think it's worth proposing
 formally. But is having a whole level all about units consistency
 justified? Perhaps there are other things we could add to this level
 that could similarly require the intervention/expertise of the model
 author? I can't think of anything off the top of my head right now.
 
 Personally I think there is nothing wrong with the current levels and 
 keeping units with getting the model giving correct results. I have 
 little faith in a model which can give the correct results while being 
 defined with inconsistent units. I was simply suggesting moving units to 
 a higher level to try and ease the burden of getting models beyond level 
 1 curation, as you pointed out a model which does run and gives 
 reasonable results is much better than one which does not run at all, 
 even with inconsistent units, depending upon the task you wish to put it to.
 
 The units inconsistency issue is a legacy of the majority of models 
 being written by hand with no way to test them. In most cases the models 
 already in the repository can now be tested with either JSim or PyCML 
 for units consistency, so it would be good to see those tests being done 
 as part of your curation workflow - even if that just ends up as a 
 comment in the model status that the units are not consistent or something.
 
 

Sure, I'll start doing that. By the way, what exactly is a workflow? ;)

 David.
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Re: [cellml-discussion] curation status of models in the repository

2007-06-20 Thread James Lawson
Hi David,

I haven't been using Jsim, I've mainly been using PCEnv. It is my
understanding that I can't use Jsim yet, from what others have told me,
but I haven't checked that out myself.

Regarding the star system, I agree it is confusing. I'm just using it
because it's there. If you have any ideas on a more robust way on
presenting curation status to users, I'm all ears.

I agree unit checks are really essential to properly validating a model,
but often there doesn't seem to be a way of getting everything to check
out.

For example, take this relatively simple model that I've just fixed.
I've given it two stars because it nicely reproduces the figures in the
paper it comes from. However, when I run Jonathan Cooper's validator on
it, the following result comes up:


[EMAIL PROTECTED]:~/Desktop/tools/JC$ python validator.py
~/Desktop/goldbeter3.cellml
Validating file /people/jlaw060/Desktop/goldbeter3.cellml against CellML 1.0
Error checking units: Operator plus requires its operands to have
dimensionally equivalent units; dimensionless and first_order_rate differ
  Context: 1st expression in the 1st math element in component M
  XPath: /*[1]/*[4]/*[8]/*[1]/*[3]/*[2]/*[3]
Error checking units: Operator plus requires its operands to have
dimensionally equivalent units; dimensionless and first_order_rate differ
  Context: 1st expression in the 1st math element in component X
  XPath: /*[1]/*[5]/*[8]/*[1]/*[3]/*[2]/*[3]
Unrecognised namespaces used:
  http://cellml.org/tmp-documentation
  http://imc.org/vCard/3.0#
  http://www.cellml.org/metadata/simulation/1.0#
File is NOT valid CellML 1.0


The first equation it has a problem with is:

d(M)/d(time) = V1 * M_ / (K1 + M_) - V2 * M / (K2 + M)

where it doesn't like adding K1 to M_ (or K2 to M,) which have units
per minute (first order rate) and dimensionless (fraction of
concentration of:activated enzyme / total enzyme,) respectively.

Because of the way this model is built, getting the units to match would
require drastically remaking it, and I don't think I'd know how to do
it. I have some ideas, but only because this is a particularly simple
model, with 3 differential equations and two algebraic expressions. In a
larger model I would have absolutely no idea where to start.

So what is the solution to this? Only code up models in CellML that are
perfect? Because technically, this model isn't valid CellML

Kind regards,
James



David Nickerson wrote:
 Hi all,
 
 I am just after a bit of clarification on the use of the stars with the 
 models in the model repository. As I understand the model curation (from 
 http://www.cellml.org/repository-info/info), one star means the model is 
 at curation level 1, two stars for level 2, and three for level 3 
 curation. For the model simulation tools, there is one star if the model 
 loads in and runs, 2 if the model gives the right results, and 3 stars 
 if the results have been rigorously verified.
 
 The first question I have is if the stars next to the Standard link 
 represent the model curation level while those next to specific tools 
 correspond to the running of simulations of that model with that tool? 
 In other words, it is not very obvious what all the stars are implying 
 when looking at a model's page in the repository.
 
 Looking at the models with two stars (thanks to Tommy's new filter tool 
 on the main page), I see they generally have two stars for Standard, 
 PCEnv and COR but no stars for JSim. If the Standard stars do reflect 
 the curation level of the model, then my second question is how are the 
 units are being checked (as required for level 2 curation) without using 
 JSim? I was under the impression that JSim was the only tool capable of 
 throughly checking all the units for consistency in a model, but perhaps 
 there is something else? And if so, should it not also be displayed 
 along with PCEnv, COR, and JSim?
 
 
 Thanks,
 David.
 

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Re: [cellml-discussion] curation status of models in the repository

2007-06-20 Thread James Lawson
David Nickerson wrote:
 OK - now I'm really confused by all this talk of stars and simulation 
 tools. Perhaps the key is to separate the model curation status from the 
 simulation tools - i.e., to have a distinct Curation Level field at 
 the top of the model page separate to the current Download options 
 section. I think it is very import to ensure there is a clear 
 distinction between model curation status and how good or bad particular 
 simulation tools are in regard to a specific model.
 
 I'm not sure that we want to get rid of the multiple stars for 
 simulation tools, as defined by 
 http://www.cellml.org/repository-info/info. If someone comes along and 
 wants to look into using a particular uncurated model, it would be a 
 good starting point to know which tools can or cannot at least load the 
 model even if it doesn't give the right answers.
 

Sure, but you only need a binary system to describe that - it either
loads or it doesn't, one star, either there or not. More stars means
confusion.

 Okay, I have just talked with Peter. He has decided that the units
 checking of models is a core issue and needs to be dealt with ASAP. I agree.

 We have decided to reform the current representation of curation levels.
 Firstly, the three stars for each simulator will go, and be replaced by
 one star, which represents that the model loads in that simulator. The
 argument against this is that all models should load in all simulators.
 This is, however not the case, refer to my comment later. Until it is
 the case, it is worth having simulator specific stars.
 
 Just to point out that this would be much better if it was framed as a 
 proposal rather than an explanation of a decision already reached. 
 Otherwise there is little point seeking comments...

Sorry, the decision was for reform, the rest is what we talked about and
are points for discussion.

 
 I'm a bit worried that you seem to be saying that by default all models 
 will get one star and then that star has to be manually removed? seems 
 the wrong way round to me.

Hmm, I'd be worried if I was saying that too :) If that's how it came
across I didn't mean that. Let me put it this way the three *possible*
stars for each simulator will go, and be replaced by one *possible*
star. Is that clearer?

 
 Secondly, all models which do not produce the output given in the paper
 will lose their one star. This first 'curation' star will be given to
 models which give the correct output. The problem with this, is that it
 is often not possible to reproduce the figures in a lot of the papers.
 These figures are often made by varying the initial values of variables
 or by using log scales etc. which would require adding components to the
 model or changing it such that it no longer accurately represents the
 model described in the paper. As such, we need a better way of judging
 whether our models are giving the right output. Where possible, I think
 contacting the authors of the paper might help here. This would
 hopefully then lead on to the model getting a second star.
 
 There is nothing to say that the analysis of simulation results has to 
 be performed in the same tool. For example, results can be exported from 
 PCEnv and checked using gnuplot or even Excel...having said that, I am 
 having some good success generating such figures using the graphing 
 metadata (which I really should finish writing up soon!) and imports to 
 look at things like restitution curves and pH dependence...but I think 
 that is for the future, we want to focus on the curation in regard to 
 the current repository features.
 
 The second star will be for, as Andre said, I'd be happy with giving a
 CellML 1.0 model without
 reactions a curation status of level 2 if and only if it runs in PCEnv
 and JSim without error and gives identical results (within some
 numerical tolerance) and passes Jonathan's validation tests without
 error. (What do you mean identical results? Identical results between
 simulators or identical to the figures in the paper? If the latter, how
 do you quantify this?) This second star will in most cases require the
 author to fix the model so that it satisfies the validation tests, such
 as unit testing. This obviously presents a problem for the models that
 were made in the 60's and 70's. Most of these models are pretty seminal
 though, so hopefully we won't have too many problems with them.
 
 Now it gets confusingthis particular second star is for the curation 
 level, right? rather than a specific simulation tool? My suggestion was 
 just one way that could be used to be satisfied that a model passes the 
 requirements for level 2 curation without sitting down and manually 
 checking every variable and equation in a model.

Okay, the idea is that:
there are two sets of stars. One for curation, one for the simulator.
For curation, there are three possible stars, as outlined here. For the
simulator, there is one possible star, which is given if 

Re: [cellml-discussion] a detailed curation specification

2007-06-20 Thread James Lawson
Just one comment here. That is, if you look at the level 2 curation
requirements, the only one that isn't satisfied by most of the models
I've given two stars is the unit checking. So what this means is that we
have a bunch of models which are much better curated than the level 1
curated models, but there isn't any way to actually show that if we
aren't going to let them be level two. This is related to your point
about splitting up the curation levels, and there are many models which
would require actually reformulating the model completely to get units
consistency (which would probably require the author getting involved.)

If we did move units consistency up to level three, I think it would
make things more straight forward.

I think for the time being I'm going to take a left-wing approach and
spend more time fixing the models that are completely broken.

David Nickerson wrote:
 http://www.cellml.org/repository-info/info essentially lays out the 
 requirements for each level of curation. I think this gives a clear 
 indication of what is required for level 0, 1, and 2 curation and my 
 document you mention below starts to look at what is required for level 
 3. Just to point out that that document is the combination of 
 discussions with many people, primarily based on a proposal from Jim 
 Bassingthwaighte.
 
 I think until there is some progress on defining what level 3 curation 
 is that we don't worry about it for now, especially since it is 
 generally regarded that no existing published models would meet all the 
 requirements for level 3 curation. I think level 3 is something we can 
 aspire to as people start using tools like CellML and decent testing 
 frameworks in the actual development of new models rather than an add-on 
 after the model is already developed (like what Randy was talking about 
 at the CellML workshop).
 
 In terms of level 1 and 2 curation, I'm not really sure what more detail 
 you need in the way of a specification?
 
 Currently the only way to make sure the math described by a CellML model 
 is equivalent to a published paper is to sit down and look at them both 
 side by side. Whether you do that looking at the content MathML directly 
 or use some utility to render the MathML in a more readable format is 
 a personal preference. Ideally this is best done by the model author, 
 but any model curator can undertake this level of curation.
 
 Similarly, how level 2 curation is achieved is really up to the person 
 doing the curation. I've put forward a suggestion on how this could be 
 done, but different people can choose to use whatever tools they prefer 
 as long as there is confidence that the required conditions have been 
 met. Personally, I'd say the more different simulation and validation 
 tools used the better, although the formulation and mathematics used in 
 a given model might restrict which tools can be used and force more 
 manual checking upon the curator. Ideally I think level 2 curation 
 should be undertaken independently of the model author, but can't really 
 see a reason to enforce this as the curation annotation should contain 
 the curator data. In fact, there is no reason curation can't be done by 
 more than one curator, whereby model users might have more confidence in 
 a model that has been stamped level 2 by more than one person...
 
 A key point to note is that a model curated to level 2 is not 
 necessarily also curated to level 1 - so we need to be careful about the 
 graphical representation used on in the model repository. i.e., the 
 first two stars being yellow should imply that the model satisfies 
 bother level 1 and 2 curation. In general, at least for the 
 electrophysiology models, none of the models in the repository will 
 satisfy both curation levels 1 and 2.
 
 Also, the requirements for each of the curation levels are currently the 
 result of many discussions on what we'd ideally like to see for each 
 level. As people spend more time curating models and using these 
 annotations I'd expect there could be some changes in these definitions 
 required. So if you have any suggestions please put them forward. One 
 that has come up a bit would be breaking level 2 into more pieces, for 
 example pushing the units consistency requirement to a higher level.
 
 
 
 David.
 
 PS - no immediate plans to come back to Auckland, I think the 8th-18th 
 comment was in regard to the April workshop.
 
 
 James Lawson wrote:
 Dear all,

 Another thing Peter has asked me to seek input on is the need for a
 detailed, realistic curation specification that I can follow.
 Andre's 'thoughts on model curation and model repositories' goes some
 way towards this but it isn't formalised and this kind of document
 probably needs the input of more than one person. The proposed document
 also needs to take into account the current and future state of the
 repository, and provide guidelines to follow that will result in
 significant, consistent progress

Re: [cellml-discussion] clarification required?

2007-06-10 Thread James Lawson
Hi David/Andre,

We decided it was more useful to give the number of individual models in
the repository, rather than the number of model files (including
versions and variants). Personally I think this is better, but I'd also
like to see a few other important stats there too, including the total
number of versions that we used to have and perhaps a few other things
as well, like curated models.

David Nickerson wrote:
 Hi all,
 
 I noticed the other day that on the front page of the model repository 
 at cellml.org, the simple total number of models in the repository has 
 now changed to the number of peer reviewed models in the repository. I 
 was just wondering what this means and why the total number of models in 
 the repository is no longer given?
 
 
 Thanks,
 David.
 

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Re: [cellml-discussion] PMR categories

2007-06-07 Thread James Lawson
Peter Hunter wrote:
It may be that the additional key words
 should adhere to terms from an ontology as Matt suggests and should
use the
 predictive completion facility that Andre suggests.

Will we use the Physiome ontology for this? It will require changing the
current keywords that are defined in the metadata for many of the models
so they fit an ontology.

Should we be using ontology terms for the major categories as well? A
quick flick through the Physiome ontology suggests that we might have
trouble finding terms in it that would fit what we want.


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Re: [cellml-discussion] PMR categories

2007-06-07 Thread James Lawson
Actually, I'd venture to say that the majority of them aren't models of
human biological systems. A lot of them are animal models or based on
experiments done in non-human cell lines (for example Xenopus oocytes
(frog) are commonplace for cell cycle experiments,) and there are also a
number of bacterial models.

I agree, I think the metadata field for species (a lot of the models
already have this, I think,) would be a useful value to sort by. Perhaps
this should be on the advanced search page rather than on the front
page, however.

Eventually, the plan is to be able to sort by pretty much any metadata
field that is contained in the models.

In the future, perhaps we'll actually have specific sections devoted to
particular species. For example, the nematode work Caenorhabditis
elegans has only ~1000 cells, and every single cell and its function has
been mapped. The C. elegans neural system in particular has been mapped
in a lot of detail, with work by White, Brenner et al. (1986) mapping
all the synaptic connections between all of the neurons. Although I
haven't checked, I imagine there are efforts to model the whole
organism. While this isn't a human physiome project, animal models like
this are really important in developing frameworks to use for
modelling/studying larger systems.

Randall Britten wrote:
 A separate phylogeny attribute is probably also needed.
 
 It is not clear whether all the models are meant to pertain to human 
 physiology. One example certainly does not: # Baylor, Hollingworth, 
 Chandler, 2002,   'Comparison of Simulated and Measured Calcium Sparks 
 in Intact Skeletal Muscle Fibers of the Frog'.
 
 
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Re: [cellml-discussion] PMR categories

2007-06-07 Thread James Lawson
So for example someone's trying to build a large model but the only
components (or data to build components) available are from non-matching
species? So the LFID (I looked it up but it went over my head) provides
a way we can do that which is more precise and flexible than simply
referring to NCBI taxonomy?

 
 The critical thing for us is that a single model will quite often
 contain elements that derive their mechanism or parameters from
 studies on different organisms, so we need to be quite rigorous in
 looking at all components in a model and identifying their origin.
 This is obviously one facet where imports should be helping us to put
 circles around species specific submodels.


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[cellml-discussion] PMR categories

2007-06-05 Thread James Lawson
Hi folks,

Tommy is currently working on a sorting function for the main model list
of the PMR. Peter is looking for some ideas on what categories people
think should be included (with respect to biology, not curation - that
will be separate, coming soon!) The old repository obviously has models
listed under categories. Do we want to keep those categories? We don't
want too many categories, so what is important? As well as just
biological function, perhaps the model type is important too.
Particularly when the repository goes 1.1 we'll start getting multiscale
models.

Here's a list I compiled, which represents most of the models we
currently have.

Multiscale
Cardiobiology/Cardiophysiology
Neurobiology/Neurophysiology
Beta Cells/Insulin
Electrophysiology
Biomechanics
Biochemistry
Pharmacology
Signal Transduction/Signalling
Metabolism
Energy Metabolism
Cell Cycle
Immunology
Virology
HIV
Circadian Rhythms
Calcium Dynamics
Protein Structure  Function

Please discuss.

Kind regards,
James Lawson
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Re: [cellml-discussion] PMR categories

2007-06-05 Thread James Lawson
David Nickerson wrote:
 Would I be correct in assuming that these terms will be key words added 
 to the model metadata and that the division into categories on the main 
 repository page will be assembled from queries on each of these 
 predefined key words? 

Well potentially, there could be many many different keywords, so Peter
suggested that we might not necessarily want to base the categories on
just the keywords. At the moment, Tommy's sorting function is based on
keywords but he suggested that we could have both a keyword and a more
general category selection system.

And if so, I'm gonna further assume that there are
 no issues with having a model in more than one category, right?
 

right

 And what are the consequences for a model not fitting into any of these 
 categories?

We create an 'other' category?

 
 I'd suggest that multiscale is a bit too general to be useful in this 
 sort of setting, as its conceivable that pretty much every model in the 
 repository is multiscale in some sense.
 
 

Fair enough, multiscale can be a pretty abstracted term.

 David.
 

Thanks, your comments are always helpful.

James
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[cellml-discussion] 'CAVEman' the future of medicine

2007-05-29 Thread James Lawson
Hey folks,

Thought you might be interested in this. I really don't know how far
they've actually got but they're certainly making some pretty impressive
claims.

http://www.cosmosmagazine.com/node/1351

'Caveman' the future of medicine
OTTAWA: The world's first virtual computer model of a human body has
been created, translating a litany of complex medical and genomic data
into 4D images to test drugs and surgical techniques.

The virtual man has his skin and skeleton removed to display every vein,
artery and organ, and consists of more than 3,000 body parts projected
from the walls and floor.

-James
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Re: [cellml-discussion] removal of reaction components from models

2007-05-17 Thread James Lawson
Andrew Miller wrote:

   
 Have you actually looked at what exactly is happening? Is this an 
 overflow where quantities are getting so big they go to infinity because 
 you have a loop which doesn't have any self-regulation?
 
Hi Andrew,

Yes, I have looked at what's happening. In some cases the integrator
only gets up to the second time point, which isn't that useful. For the
models that get further than that, I don't see any evidence of numbers
getting absurdly small or absurdly big. Although some of the fluxes in
the asthagiri_lauffenburger csv file that I've sent you seem to start
off extremely small - like 10E^-38 small. I don't know. That's with the
BDF integrator. With most of the other integrators (example Implicit
Gear M1) they get up to the second time step and then start producing
NaN outputs.]

 I presume that the model that is being generated from the reactions by 
 my script would be exactly identical to what you would enter if you 
 recreated the model by hand (assuming that the entered rate laws are an 
 accurate representation of the paper). If the rates were specified using 
 one of the common formulae for enzyme rates, you would get product 
 inhibition and these overflows wouldn't happen, but I think that perhaps 
 the entered rate laws are too simple.

I would presume that too.

 
 Obviously, getting rid of the reactions is the overall goal, but I don't 
 see any reason why you would be better to re-create the models from 
 scratch, rather than starting from the original model with reactions, 

I am starting from the original model with reactions, not building it
totally from scratch.

 running it through my script to generate equations for this, and then 
 fixing any problems such as rate laws which don't represent what the 
 authors of the paper actually used and/or result in species getting 
 exponential increases to such high concentrations they overflow the 
 floating point representation.
 

I don't think that this process is possible to automate due to the way
the models have been coded up using reaction components. Of course, I
may be wrong. It's something that's difficult to explain over email. If
you want to see what I mean, come see me and I'll show you an example.
Then perhaps you might have a better idea about whether the process can
be automated or now. Additionally, rebuilding the model provides a
really good opportunity for curation. I've been rebuilding the
bertram_arnot_zamponi model and I've actually found a few errors and
omissions, which I definitely wouldn't have found without looking at the
model in the depth required to rebuild it.

   
 My script could generate metadata as well if required. However, as Poul 
 suggested at the CellML meeting, feedback from Matt on exactly what 
 metadata we should generate it and where that metadata should be stored 
 (I think it preferably should be in the model, but Matt might have a 
 different opinion).

Yep.

Kind regards,
James
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[cellml-discussion] removal of reaction components from models

2007-05-16 Thread James Lawson
Dear All,

This email is aimed at anyone who has comments, but we particularly want
to draw Matt's attention.

In the CellML meeting yesterday I brought up the issue of replacement of
reaction components with straight math. At present PCEnv isn't handling
reaction components well - models which use reaction components aren't
integrating, for one. There are also issues with math elements not being
picked up if they are under role elements. Andrew has written a script
to pull these math elements up a level so that they're a direct child of
the component, not the role element. The script also defines delta
variables as rate * stoichiometry. Running this script on the models
which contain reaction components has cleared up most of the errors with
undefined delta variables, so now many of the models with reaction
components can now be loaded in PCEnv. The problem is that *none of
them* will integrate properly. I am making the assumption that this
effect is due to the reaction component, not the models, since it is so
widespread among many very different models.

I'm going to start rebuilding models without reaction components.
However, one of the primary issues around this is that the information
represented by the attributes defined in the reaction components is,
while not essential for computation of the model, definitely something
that we want to keep. For example, what species are reactants, products,
catalysts, activators, inhibitors (and what kind of inhibitor,) etc.
Ideally, these attributes would be recorded as metadata. We don't as yet
have this facility, however.

So the questions are:
1.) what to do with this data meanwhile
2.) how to redesign reaction descriptions using a combination of math
and metadata.

One of the reasons we're seeking your input Matt, is that ontologies
such as BioPAX could be really useful in providing a framework for how
we assign metadata to reactions, in a biological sense. Also, Sarala
mentioned in the meeting yesterday that she was using BioPAX to describe
reactions in her work.

Regarding the first question, some of the ideas that were suggested were:
a.) use commenting to describe the attributes of each reaction
b.) keep the files (well, we already do anyway,) that describe the
models in terms of reaction components and refer back to them later when
we have the facilities to enter metadata on reactions to the models
which have been rebuilt without the reaction components.

So if anyone has any comments on this, they'd be much appreciated.

James

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[cellml-discussion] some repository stats

2007-04-23 Thread James Lawson
Hi Folks,

I have now checked every model in the repository in PCEnv and recorded
whether they run, and if so, whether they integrate, or if they don't
run, what the error message is. The great majority contain undefined
variables.

As of 24/04/07:
Out of a total of 250 different models (I only counted once, so make
that plus or minus a few,) 58 models are functional in PCEnv and have
therefore made it to a one star rating. That's 23.2 %, which isn't too bad.

There are 412 files in the repository, so that equates to an average of
1.65 versions/variants per model.

Most of the variants got uploaded automatically from the old repository
as versions, so that's something I'll fix eventually.

As of now, a star next to the model name in the repository list
definitively means that at least one version of that model runs and
integrates in PCEnv.

James
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Re: [cellml-discussion] CellML Validation, Curation and Model Composition

2007-04-16 Thread James Lawson
 As for re-usability, again, in my view, implies that you have some 
 CellML model that can be re-used :-) Following the ideas of my best 
 practices this would be a model which contains just math with no 
 parameter values or initial conditions embedded in it such that I can 
 take that math and use it in the way I want without restriction. 
 Practically, there is still use in being able to take models which do 
 have parameters and initial conditions embedded in them and plugging 
 them into another model.

The following is rather speculative - perhaps there is a way to do this
already that I'm unaware of. I'm just fishing for comments.

If you have a model which contains only math, and say you want to use it
as a component. It has no parameters, and you need to plug in a whole
plethora of initial conditions etc. Is there any way to avoid doing this
manually? If you had a file containing all these parameters and values
and the variables/components that they pertain to, it would be good to
be able to simply import these into the model automatically.

The most important use for this parameter importing feature could be in
experimentation with the models. If you had a set of parameters that you
wanted to change over a range (for example, ligand concentration in a
GPCR signalling system,) and take the results that the model outputs
(you might want to know cAMP production rates by adenylate cyclase, PKA
activation levels, desensitization rates, etc. etc.) you could run this
'experiment file,' and get the results output to CSV. It would probably
take an awfully long time to integrate the model several hundred times
if you wanted that many data points, but at present, you'd have to
manually change the values you wanted to change, integrate, export to
CSV, then do it over again.

James
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[cellml-discussion] model variants(?): e.g. where multiple cell types are described by the same model in different files

2007-04-11 Thread James Lawson
Hi folks,

I'm just fishing for some comments on how to handle cases where there
are models which describe, for example, the properties of multiple cell
types. Bondarenko et al. 2004 is a good example of this:

In the Bondarenko et al. 2004 publication described here, the authors
develop a computer model of the mouse ventricular action potential (see
below). The model includes parameters for both the apex and the septum
regions of the heart (the apex parameters have been substituted into the
CellML version of the model described in ), and this helps to illustrate
how there are regional differences in myocyte repolarisation in the
mouse heart.

Penny Noble has just sent me a zip file containing the latest versions
of all the models she has curated for COR. I'm currently in the process
of comparing these versions to the latest versions we have on the
repository. In some cases, she has provided several variants of the same
model which describe different cell types, as above.

Firstly, are these true 'variants'? If so, then the matter is relatively
simple. Unfortunately, if one goes through the repository list, variants
simply come up as a duplication of the model listing, with no
information concerning what the variant represents. This is something I
imagine will be fixed in time, but is presently rather frustrating
considering the issue at hand.

Does anyone have any comments on this? Should I simply put the files up
as different variants, with a note in the documentation?

Thanks,
James Lawson
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Re: [cellml-discussion] model variants(?): e.g. where multiple cell types are described by the same model in different files

2007-04-11 Thread James Lawson
Addendum:

The model in the repository describes the apex cells only.

James Lawson wrote:
 Hi folks,
 
 I'm just fishing for some comments on how to handle cases where there
 are models which describe, for example, the properties of multiple cell
 types. Bondarenko et al. 2004 is a good example of this:
 
 In the Bondarenko et al. 2004 publication described here, the authors
 develop a computer model of the mouse ventricular action potential (see
 below). The model includes parameters for both the apex and the septum
 regions of the heart (the apex parameters have been substituted into the
 CellML version of the model described in ), and this helps to illustrate
 how there are regional differences in myocyte repolarisation in the
 mouse heart.
 
 Penny Noble has just sent me a zip file containing the latest versions
 of all the models she has curated for COR. I'm currently in the process
 of comparing these versions to the latest versions we have on the
 repository. In some cases, she has provided several variants of the same
 model which describe different cell types, as above.
 
 Firstly, are these true 'variants'? If so, then the matter is relatively
 simple. Unfortunately, if one goes through the repository list, variants
 simply come up as a duplication of the model listing, with no
 information concerning what the variant represents. This is something I
 imagine will be fixed in time, but is presently rather frustrating
 considering the issue at hand.
 
 Does anyone have any comments on this? Should I simply put the files up
 as different variants, with a note in the documentation?
 
 Thanks,
 James Lawson
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Re: [cellml-discussion] model variants(?): e.g. where multiple cell types are described by the same model in different files

2007-04-11 Thread James Lawson
Matt wrote:
 This scratches a couple of important pending issues:
 
 1) I feel the term 'variant' is odd (even though I originally
 suggested it). It was intended to mean that the model labelled as a
 variant is a variation of the one it is a variant of. However, this
 isn't really a very applicable definition, especially if one may
 consider a model to be a variant of more than one other model. Since
 variant is bound up in the URI and name then this makes for dilemmas.
 My suggestion would be that we drop variants altogether. We can mark
 relations in a better way through metadata.
 
 I am also querying whether the flatness of our URI scheme is
 appropriate for our uses.
 
 e.g. perhaps:
 
 http://www.cellml.org/models/bondarenko_szigeti_bett_kim_rasmusson_2004_version01
 
 should be something like
 
 http://www.cellml.org/models/bondarenko_szigeti_bett_kim_rasmusson/2004/ventricular?rev=1
 
 (no that is not a formal proposal)
 
 But this doesn't really help you now. The technically correct method
 at the moment would be that the new models that are similar but
 different only in their parameterisations are added as variants.
 

Right.

 Another alternative in the short term would to simply name the models
 as separate models (which they are) 

That's an interesting proposal. Given the current way that the models
are listed, that would be a good way of displaying that the models are
variants. If you upload two variants of a model, they come up as
duplicate listings (i.e. no information is displayed about the nature of
the variant,) so simply making them two different models would get
around this. Anyone else have comments on this?

and we define now an rdf relation
 scheme that is very explicitly about how different models at different
 URIs relate to the one you are editing. This would mean that Tommy
 needs to update the rendering of the pages for these models to reflect
 this information.
 
 2) These models should use imports so that we can at least point to
 the generic model and then the specialised parameterised ones. But
 that won't work right now because the repository can't handle 1.1
 models.

In this case there is no generic model available. The model we have on
the repository for Bondarenko et al. 2004 is the one describing the
apical cells.

 
 cheers
 Matt
 
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[cellml-discussion] curation annotation framework

2007-04-11 Thread James Lawson
 So, for example in
 http://www.cellml.org/models/tentusscher_noble_noble_panfilov_2004_version01_variant01
  
 I'm guessing you have fixed the model to work in PCEnv (hence the star) 
 but the model status still states This is the original unchecked 
 version of the model imported from the previous CellML model repository, 
 24-Jan-2006. Given there is still no curation annotation framework I 
 think we still need to be using such a plain text description of the 
 status of each model and thus you should update the documentation to 
 reflect what you actually have done. This would also be the place to 
 justify the use of a variant rather than version.

This particular model isn't one I've actually fixed - just one that I've
checked and annotated with a star to denote that it runs in PCEnv. As
such I don't know exactly where that version has come from - I can only
assume that it came from the old repository. The presence of the star
means that it shouldn't say that it is unchecked, however. I'll change
that now. Of course the star system remains ambiguous because not all of
the models that lack stars don't run in PCEnv - they simply haven't been
checked, and not all of the models with stars have been fixed by myself
personally - I have just certified that they run in PCEnv.

In the case that I have in fact created a new version, I have updated
the model status. Since there's currently no annotation framework as
such, and since I have really just started and am learning what needs to
be said etc as I go, some of the annotation I've put to models that I
fixed earlier isn't consistent with what I'm doing now. The model
documentation can't be changed from the page - the file needs to be
downloaded, changed and then reuploaded.

At the moment I'm primarily saying what version the current version was
updated from, by who, and when (if I know). Some of my earlier
annotations included the error that the previous version was producing.
This can produce a lot of text though, particularly when it requires
listing scores of variables that couldn't be defined etc. I do have all
this information (regarding how a particular model was fixed, that is,)
documented on my computer, however.

Does anyone have any comments or proposals, formal or informal,
concerning what information needs to be included in the model status
documentation? The more consistent I can be now, the less I'll have to
go back and redo in the future.

James
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[cellml-discussion] fixed model - A Model for Human Ventricular Tissue

2007-03-19 Thread James Lawson
Fixed version 3 of
Ten Tusscher, Noble, Noble, Panfilov, 2003 A Model for Human
Ventricular Tissue in CellML repository

New file is now version 4
http://www.cellml.org/models/tentusscher_noble_noble_panfilov_2003_version04

Updated PCenv stars to one star (should it be three? indicating that it
runs fine?)

James Lawson
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