[Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Nicolas Vervelle
Hi guys,

I'm thinking on working again on the extension for integrating Jmol into a
MediaWiki wiki.
I haven't followed all the work that has been done recently on Jmol and
JSmol.

Do you have any links/explanations for me on what could be use for an
integration into MW ?

   - Switching between Jmol and JSmol depending on the browser capabilities
   - Displaying a static image by default that could be replaced by a Jmol
   viewer when user clicks on it
   - Opening Jmol in a new window, that would be scalable
   - Disabling javascript in Jmol script
   - ...
   - anything you can think of

Nico
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Re: [Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Jaime Prilusky
Hi Nico,

It's good to know that you will have time for JSmol.

I've done a lot on this direction, and Proteopedia is already rendering with 
JSmol when accessed from iPad.
We are also displaying a static image while JSmol loads and renders the model, 
smoothly switching to the interactive model when done.

Packaging everything and releasing a JSmol/Jmol extension for Mediawiki is on 
my list of tasks, although I've been busy on other Jmol related task.

Jaim
--
Dr Jaime Prilusky
Head Bioinformatics
RD Bioinformatics and Data Management
Department of Biological Services
Weizmann Institute of Science
76100 Rehovot - Israel

eml: jaime.prilu...@weizmann.ac.ilmailto:jaime.prilu...@weizmann.ac.il
fax: 972-8-9344113
tel: 972-8-9344959

OCA, http://oca.weizmann.ac.il (the protein structure/function database)
Proteopedia, http://proteopedia.org (because life has more than 2D)

On Apr 23, 2013, at 6:13 PM, Nicolas Vervelle wrote:

Hi guys,

I'm thinking on working again on the extension for integrating Jmol into a 
MediaWiki wiki.
I haven't followed all the work that has been done recently on Jmol and JSmol.

Do you have any links/explanations for me on what could be use for an 
integration into MW ?

  *   Switching between Jmol and JSmol depending on the browser capabilities
  *   Displaying a static image by default that could be replaced by a Jmol 
viewer when user clicks on it
  *   Opening Jmol in a new window, that would be scalable
  *   Disabling javascript in Jmol script
  *   ...
  *   anything you can think of

Nico
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[Jmol-users] callback functions in JSmol

2013-04-23 Thread Christian Baerlocher
Dear JSmol users,

I am trying to convert my Jmol page to JSmol but I have a problem with the 
callback functions.

I was using

jmolSetCallback( animFrameCallback , modelSelected);

and converting that to 

jmolSetCallback(myJmol, animframecallback , modelSelected);

did not work.  I am sure there is an easy solution, I just did not find it 
anywhere.

Thanks a lot for your help

Christian 


-
Dr. Christian Baerlocher
Lab. of Crystallography
ETH Zürich
Wolfgang-Pauli-Strasse 10
CH-8093 Zürich
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[Jmol-users] JSmol in XHTML

2013-04-23 Thread Kevin Milburn
HI

I've been trying to get JSmol to work with XHTML, and while the Java side 
works,  the HTML5 does not.

The cause of the problem is a TypeError:   f is undefined in JSmol.min.js, 
line 393.   With the culprit being   f.appendChild(c)

While trying to find the problem, I've noticed that,  while the simple2.htm 
claims to be XHTML  (and may validate as such), it does not work when served 
correctly to the browsers;
IE, Firefox and Chrome all fail when the HTTP response identifies the 
Content-Type as application/xhtml+xml, which is required for correct 
processing of XHTML.

After clearing most of the code for the leftpanel  (undefined entities), 
rightpanel (not well formed) and lower panel (not well formed, mismatched tag), 
 the page loads,  adding ?USE=HTML5 results in the TypeError.

Is there any likelihood of full XHTML support?

TIA
Kevin
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Re: [Jmol-users] callback functions in JSmol

2013-04-23 Thread Herráez Sánchez Ángel
Hello Christian

I do not think there is a jmolSetCallback() in JSmol

Try to use parameters in the Info variable
http://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Info#Callbacks

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Re: [Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Robert Hanson
What I've learned...


On Tue, Apr 23, 2013 at 10:13 AM, Nicolas Vervelle nverve...@gmail.comwrote:

 Hi guys,

 I'm thinking on working again on the extension for integrating Jmol into a
 MediaWiki wiki.
 I haven't followed all the work that has been done recently on Jmol and
 JSmol.

 Do you have any links/explanations for me on what could be use for an
 integration into MW ?

- Switching between Jmol and JSmol depending on the browser
capabilities


Doesn't work from a page-side perspective. You can't detect if Java is
available any more, and when it is, the page holds until it is
functional. So that's a real problem. From the server, you can certainly
find out if it is mobile or not, and guess that only HTML5 will work.

WebGL development is still minimal -- doesn't seem to be a future in that
for the iPad; only minimally supported in JSmol.

There's an image only option that I thought might allow the server to
create the view and send it, but that turns out to require too much dead
time waiting for the server to process the script.

The only clear autoswitching that works from the page is If no HTML5, use
Java for older browsers.




- Displaying a static image by default that could be replaced by a
Jmol viewer when user clicks on it


That's all set. It's a couple of flags in the Info block. This does work
well.




- Opening Jmol in a new window, that would be scalable


All set, but not built in. I know someone was doing this.



- Disabling javascript in Jmol script


Well, if it's all JavaScript, what does that mean?



- ...
- anything you can think of


Basically JSmol is precisely the same as Jmol, just all in JavaScript.



 Nico


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Re: [Jmol-users] callback functions in JSmol

2013-04-23 Thread Robert Hanson
you can do it with a Jmol script, just as before:

set animFrameCallback myCallback

or, as Angel mentions, you can set it up in the Info array.



On Tue, Apr 23, 2013 at 12:42 PM, Herráez Sánchez Ángel 
angel.herr...@uah.es wrote:

 Hello Christian

 I do not think there is a jmolSetCallback() in JSmol

 Try to use parameters in the Info variable
 http://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Info#Callbacks



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Re: [Jmol-users] JSmol in XHTML

2013-04-23 Thread Robert Hanson
I'm not surprised.

If you can help us do that, it would be great. You are using

  Jmol.setXHTML(id)

?

I don't remember exactly how to test a page in XHTML, so if you would let
me know, I can help you.

Bob




On Tue, Apr 23, 2013 at 11:07 AM, Kevin Milburn
kmilb...@gpslsolutions.comwrote:

 HI

 ** **

 I've been trying to get JSmol to work with XHTML, and while the Java side
 works,  the HTML5 does not.

 ** **

 The cause of the problem is a TypeError:   f is undefined in
 JSmol.min.js, line 393.   With the culprit being   f.appendChild(c)

 ** **

 While trying to find the problem, I've noticed that,  while the
 simple2.htm claims to be XHTML  (and may validate as such), it does not
 work when served correctly to the browsers;

 IE, Firefox and Chrome all fail when the HTTP response identifies the
 Content-Type as application/xhtml+xml, which is required for correct
 processing of XHTML.

 

 After clearing most of the code for the leftpanel  (undefined entities),
 rightpanel (not well formed) and lower panel (not well formed, mismatched
 tag),  the page loads,  adding ?USE=HTML5 results in the TypeError.

 ** **

 Is there any likelihood of full XHTML support?

 ** **

 TIA

 Kevin

 


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it is better to take what answer we get.

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Re: [Jmol-users] callback functions in JSmol

2013-04-23 Thread Christian Baerlocher
Many thanks for your quick help.

I will try this tomorrow

Christian


On 23. Apr, 2013, at 8:29 PM, Robert Hanson hans...@stolaf.edu wrote:

 you can do it with a Jmol script, just as before:
 
 set animFrameCallback myCallback
 
 or, as Angel mentions, you can set it up in the Info array.
 
 
 
 On Tue, Apr 23, 2013 at 12:42 PM, Herráez Sánchez Ángel 
 angel.herr...@uah.es wrote:
 Hello Christian
 
 I do not think there is a jmolSetCallback() in JSmol
 
 Try to use parameters in the Info variable
 http://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Info#Callbacks
 
 
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 it is better to take what answer we get. 
 
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Re: [Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Herráez Sánchez Ángel
 - Disabling javascript in Jmol script
 Well, if it's all JavaScript, what does that mean?


Time ago, one of the objections to include Jmol in Wikipedia was that 
arbitrary Javascript should not be allowed to execute from within a malicious 
Jmol Script. A flag was implemented to block javascript calls within Jmol 
scripts (and it is enabled by default, or may be enforced, in the Jmol 
MediaWiki Extension).


Yes, it sounds funny now, but still there may be a basis for it. Don't know...

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Re: [Jmol-users] JSmol in XHTML

2013-04-23 Thread Herráez Sánchez Ángel
One of the issues might be that, even if the page source code validates, the 
actual generated xhtml will not be compliant.

?
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Re: [Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Nicolas Vervelle
On Tue, Apr 23, 2013 at 9:39 PM, Herráez Sánchez Ángel angel.herr...@uah.es
 wrote:

  - Disabling javascript in Jmol script
  Well, if it's all JavaScript, what does that mean?


 Time ago, one of the objections to include Jmol in Wikipedia was that
 arbitrary Javascript should not be allowed to execute from within a
 malicious Jmol Script. A flag was implemented to block javascript calls
 within Jmol scripts (and it is enabled by default, or may be enforced, in
 the Jmol MediaWiki Extension).


 Yes, it sounds funny now, but still there may be a basis for it. Don't
 know...


Yes, that's what I meant by disabling javascript in Jmol script.
I think it would still be an objection to include Jmol in a wiki if
arbitrary Javascript could be executed through Jmol script.
Since every user would be able to create the Jmol script, it should be safe
for others to view it.

Nico
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Re: [Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Nicolas Vervelle
Hi Jaime,

Good to hear that you have kept working on this
That would be great to have this packaged :)
Is there anything I can do to help ?

If I can, I would like to try to go the Wikimedia hackathon[1] at the end
of May in Amsterdam to discuss about what should be done to the extension
to have it integrated in wikipedia. But I'm not sure I will be in Europe at
this time.
I think that security is an important issue to cope with if you want a
slight chance of seeing Jmol used.

Nico

[1] http://www.mediawiki.org/wiki/Amsterdam_Hackathon_2013

On Tue, Apr 23, 2013 at 5:36 PM, Jaime Prilusky 
jaime.prilu...@weizmann.ac.il wrote:

  Hi Nico,

  It's good to know that you will have time for JSmol.

  I've done a lot on this direction, and Proteopedia is already rendering
 with JSmol when accessed from iPad.
 We are also displaying a static image while JSmol loads and renders the
 model, smoothly switching to the interactive model when done.

  Packaging everything and releasing a JSmol/Jmol extension for Mediawiki
 is on my list of tasks, although I've been busy on other Jmol related task.

  Jaim
  --
 Dr Jaime Prilusky
 Head Bioinformatics
 RD Bioinformatics and Data Management
 Department of Biological Services
 Weizmann Institute of Science
 76100 Rehovot - Israel

 eml: jaime.prilu...@weizmann.ac.il
 fax: 972-8-9344113
 tel: 972-8-9344959

 OCA, http://oca.weizmann.ac.il (the protein structure/function database)
 Proteopedia, http://proteopedia.org (because life has more than 2D)

  On Apr 23, 2013, at 6:13 PM, Nicolas Vervelle wrote:

  Hi guys,

  I'm thinking on working again on the extension for integrating Jmol into
 a MediaWiki wiki.
 I haven't followed all the work that has been done recently on Jmol and
 JSmol.

  Do you have any links/explanations for me on what could be use for an
 integration into MW ?

- Switching between Jmol and JSmol depending on the browser
capabilities
- Displaying a static image by default that could be replaced by a
Jmol viewer when user clicks on it
- Opening Jmol in a new window, that would be scalable
- Disabling javascript in Jmol script
- ...
- anything you can think of

 Nico

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[Jmol-users] FirstGlance in Jmol: Enhanced

2013-04-23 Thread Eric Martz
I have today released a new version of FirstGlance in Jmol with many 
enhancements.
http://firstglance.jmol.org as always.

Formerly there was a single upper left control panel. Now there are 4 
tabs in the control panel: Molecule (labeled with the PDB code), 
Views, Tools, and Resources.

The Molecule tab is entirely new. It digests and summarizes a lot of 
information from the PDB file. Resolution and Free R are graded to 
assist those who are not structural biologists in interpreting them. 
Missing residues are reported chain by chain, including counts of 
charged residues that are missing.

The initial view has been modified to include empty baskets in the 
regions where residues present in the crystal are missing in the 
model due to disorder. Thus you can no longer be unaware when there 
are missing residues.

There is a clickable list of ligands and non-standard residues with 
their full names.

The Find tool now supports finding sequences, e.g. sequence=rgd 
will highlight (and count) all Arg Gly Asp sequences present in all 
chains. Ditto for nucleotide sequences.

The biological unit (quaternary structure) is more readily available 
and more help is provided.

Former versions of FirstGlance reported no counts. This version 
reports counts of many things, including chains, amino acids, 
nucleotides (total and per chain), lengths of chains, missing 
residues, missing charged residues, numbers of each 
ligand/non-standard residue, disulfide bonds, and anything found with 
the Find tool.

There are many new convenience features.

A more complete list of enhancements is here:
http://firstglance.jmol.org/versions.htm

If you have suggestions for improvements, please do let me know!

There are undoubtedly bugs. Please report anything that looks 
dubious, being sure to include the PDB code you were using.

Eric

P.S. I have not undertaken a JSmol version yet.

/* - - - - - - - - - - - - - - - - - - - - - - - - - - -
Eric Martz, Professor Emeritus, Dept Microbiology
U Mass, Amherst -- http://Martz.MolviZ.Org

Top Five 3D MolVis Technologies http://Top5.MolviZ.Org
FirstGlance, used by Nature - http://firstglance.jmol.org
3D Wiki with Scene-Authoring Tools http://Proteopedia.Org
Biochem 3D Education Resources http://MolviZ.org
ConSurf - Find Conserved Patches in Proteins: http://consurf.tau.ac.il
Atlas of Macromolecules: http://atlas.molviz.org
Interactive Molecules in Public Spaces http://MolecularPlayground.Org
Workshops: http://workshops.molviz.org
- - - - - - - - - - - - - - - - - - - - - - - - - - - */


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Re: [Jmol-users] Jmol extension for Mediawiki

2013-04-23 Thread Jaime Prilusky
Thank you for offering your help. Your expertise on Jmol extension will 
certainly become very handy.

Regarding Wikipedia: Joel Sussman and myself took part of Wikimania 2011, and 
had the opportunity to meet and discuss with key MediaWiki developers and 
Wikipedia leaders. They got inside information on Proteopedia, it's integration 
with Jmol, and understood that Jmol never caused problems to Proteopedia. We 
offered our help and Proteopedia code.

No progress after that. All this considering a Java based Jmol. I assume that 
today they might be more reluctant to using a Javascript centered JSmol.

Still, we are willing to share our experience with Jmol/JSmol over MediaWiki in 
Proteopedia in case they changed their mind.

Jaim

On Apr 24, 2013, at 12:47 AM, Nicolas Vervelle wrote:

Hi Jaime,

Good to hear that you have kept working on this
That would be great to have this packaged :)
Is there anything I can do to help ?

If I can, I would like to try to go the Wikimedia hackathon[1] at the end of 
May in Amsterdam to discuss about what should be done to the extension to have 
it integrated in wikipedia. But I'm not sure I will be in Europe at this time.
I think that security is an important issue to cope with if you want a slight 
chance of seeing Jmol used.

Nico

[1] http://www.mediawiki.org/wiki/Amsterdam_Hackathon_2013

On Tue, Apr 23, 2013 at 5:36 PM, Jaime Prilusky 
jaime.prilu...@weizmann.ac.ilmailto:jaime.prilu...@weizmann.ac.il wrote:
Hi Nico,

It's good to know that you will have time for JSmol.

I've done a lot on this direction, and Proteopedia is already rendering with 
JSmol when accessed from iPad.
We are also displaying a static image while JSmol loads and renders the model, 
smoothly switching to the interactive model when done.

Packaging everything and releasing a JSmol/Jmol extension for Mediawiki is on 
my list of tasks, although I've been busy on other Jmol related task.

Jaim
--
Dr Jaime Prilusky
Head Bioinformatics
RD Bioinformatics and Data Management
Department of Biological Services
Weizmann Institute of Science
76100 Rehovot - Israel

eml: jaime.prilu...@weizmann.ac.ilmailto:jaime.prilu...@weizmann.ac.il
fax: 972-8-9344113
tel: 972-8-9344959

OCA, http://oca.weizmann.ac.ilhttp://oca.weizmann.ac.il/ (the protein 
structure/function database)
Proteopedia, http://proteopedia.orghttp://proteopedia.org/ (because life has 
more than 2D)

On Apr 23, 2013, at 6:13 PM, Nicolas Vervelle wrote:

Hi guys,

I'm thinking on working again on the extension for integrating Jmol into a 
MediaWiki wiki.
I haven't followed all the work that has been done recently on Jmol and JSmol.

Do you have any links/explanations for me on what could be use for an 
integration into MW ?

  *   Switching between Jmol and JSmol depending on the browser capabilities
  *   Displaying a static image by default that could be replaced by a Jmol 
viewer when user clicks on it
  *   Opening Jmol in a new window, that would be scalable
  *   Disabling javascript in Jmol script
  *   ...
  *   anything you can think of

Nico
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