[Blue-obelisk] RE: The paradigm shift in data sharing in chemistry and the Blue Obelisk movement

2007-06-12 Thread Noel O'Boyle
The free MS Sashimi tools at sourceforge which convert multiple vendor formats into mzXML do *not* always work as promised (however are the best I have seen) Sashimi is one of the most active science projects on SF. If you have found any bugs, please submit them to the developers. As it says on

[Blue-obelisk] Wiki has moved to sourceforge

2007-06-08 Thread Noel O'Boyle
Dear all The Blue Obelisk wiki/website has moved to http://blueobelisk.sf.net. There were some difficulties so all user accounts will have to be recreated. You should use the same user name for your account as originally used, if possible. Please let me know if there are any problems. For the re

[Blue-obelisk] Re: WIKI content and design

2007-06-01 Thread Noel O'Boyle
On 01/06/07, Tobias Kind <[EMAIL PROTECTED]> wrote: Hi Noel, Thanks for the links. Regarding the BO WIKI I think it should be possible to edit content for registered and known and active people. Web 2.0 time! So if I want to add some stuff on the news page It should posibble for me to do that a

[Blue-obelisk] Re: Re: Relocation of mailing list to Google Groups + rant

2007-05-30 Thread Noel O'Boyle
Tobias, Thanks for the feedback. We will take your comments on board, and provide a number of means to read and contribute to the BO mailing list. And even more importantly, we will advertise these means on the various web sites, which we don't currently do. Apart from subscribing to the mailing

[Blue-obelisk] Beta testers for Greasemonkey "Add to Connotea" script

2007-05-29 Thread Noel O'Boyle
Hello, I'd appreciate if someone could beta test and give me some feedback on a new Greasemonkey script at http://userscripts.org/scripts/show/9526 All you need is a Connotea account. Once the script is installed, you just navigate to a journal page, enter your Connotea username and password, an

[Blue-obelisk] Subversion access

2007-05-28 Thread Noel O'Boyle
I would appreciate being added as a developer to the BO project on SF. I will use this to version any Greasemonkey scripts I'm working on. I'll make a top-level Greasemonkey folder if this is okay with everyone (I'll put trunk, branches, tags inside this). Regards, Noel ___

Re: [Blue-obelisk] Relocation of mailing list?

2007-05-08 Thread Noel O'Boyle
crit: > On May 7, 2007, at 5:39 PM, Noel O'Boyle wrote: > > Do others agree? Several universities (e.g. Cambridge) provide Mailman > > mailing lists so it shouldn't be difficult to find a suitable location > > with zero maintenance required. > > I'

[Blue-obelisk] Relocation of mailing list?

2007-05-07 Thread Noel O'Boyle
Considering the upcoming closure of CUBIC (as I understand it) could I suggest moving the BO mailing list? For a number of months it has been impossible to subscribe to the mailing via the web interface, which means that we may have lost a number of potential contributors. Do others agree? Severa

Re: [Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-04-27 Thread Noel O'Boyle
OK, thanks - it's working now...I'm behind a proxy: server = WSDL.Proxy(wsdlFile, http_proxy="myproxy.cam.ac.uk:3129") On 27/04/07, Rajarshi Guha <[EMAIL PROTECTED]> wrote: On Fri, 2007-04-27 at 13:49 +0100, Noel O'Boyle wrote: > Before trying it in Ja

Re: [Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-04-27 Thread Noel O'Boyle
ture?wsdl' server = WSDL.Proxy(wsdlFile) print server.getSimilesByCID(['801']) Regards, Noel On 23/04/07, Rajarshi Guha <[EMAIL PROTECTED]> wrote: On Mon, 2007-04-23 at 10:08 +0100, Noel O'Boyle wrote: > The good thing about this is that it's easy to do and ligh

Re: [Blue-obelisk] Revamp of the wiki

2007-04-27 Thread Noel O'Boyle
I don't see any mention of the Blue Obelisk Awards... On 27/04/07, Noel O'Boyle <[EMAIL PROTECTED]> wrote: I've spent an hour on it and done about as much as I can...here are some comments: (1) The miscellanous links should be tidied up; there are several pages with dupl

Re: [Blue-obelisk] Revamp of the wiki

2007-04-27 Thread Noel O'Boyle
I've spent an hour on it and done about as much as I can...here are some comments: (1) The miscellanous links should be tidied up; there are several pages with duplicate information (2) Wiki page titles should include spaces; I've changed a few (3) I hope I don't offend anyone by removing the a

[Blue-obelisk] Revamp of the wiki

2007-04-25 Thread Noel O'Boyle
The Blue Obelisk wiki is the public face of the BO to the world. There has been some talk recently about promoting the BO, and this is the website that people come to if they are curious or want to get involved. Since it has grown organically as wikis tend to do, it is now in need of a major revam

Re: [Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-04-23 Thread Noel O'Boyle
However I'm hitting a wall when it comes to web services that return anything but a String when using the Mozilla SOAP api. Does anybody have any experience with the Mozilla SOAP api? I'm afraid not...just with JSON. The Chemical Blogspace with Quotes user script communicates with CB using JS

[Blue-obelisk] New blog

2007-04-04 Thread Noel O'Boyle
Hello all, To quote from my new blog: "I've decided to join the ranks of blue obelisk bloggers (bloblogs?) after realising that it gives me an excuse not to update my webage. I'll be talking about open chemistry software, and various random codings I'm involved in." Could I be added to Planet BO

Re: [Blue-obelisk] Javascript and Greasemonkey

2007-03-26 Thread Noel O'Boyle
I've written a new version of the greasemonkey script for connecting the DOIs on table of contents pages and chemical blogspace. This one has a bit more 'wow' to it. :-) It is best explained by the screenshot at the bottom of: "http://wiki.cubic.uni-koeln.de/bowiki/index.php/Using_Javascript_and_

[Blue-obelisk] BO wiki graffiti

2007-03-22 Thread Noel O'Boyle
Could someone please disable anonymous edits on the BO wiki, and revert recent spam? Noel ___ Blue-obelisk mailing list Blue-obelisk@hardly.cubic.uni-koeln.de http://hardly.cubic.uni-koeln.de/mailman/listinfo/blue-obelisk

[Blue-obelisk] Code should be available if publishing...

2007-03-22 Thread Noel O'Boyle
Nature Methods editorial recommends availability of source code... http://www.nature.com/nmeth/journal/v4/n3/full/nmeth0307-189.html Noel ___ Blue-obelisk mailing list Blue-obelisk@hardly.cubic.uni-koeln.de http://hardly.cubic.uni-koeln.de/mailman/li

[Blue-obelisk] Structure diagram drawer

2007-03-21 Thread Noel O'Boyle
Are people aware of MCDL? http://www.mdpi.org/molecules/papers/11040219-old.pdf This might help with 2D structure diagram generation Noel ___ Blue-obelisk mailing list Blue-obelisk@hardly.cubic.uni-koeln.de http://hardly.cubic.uni-koeln.de/mai

[Blue-obelisk] Javascript and Greasemonkey

2007-03-21 Thread Noel O'Boyle
I've moved all of my instructions regarding Javascript and Greasemonkey to the BO wiki here: http://wiki.cubic.uni-koeln.de/bowiki/index.php/Using_Javascript_and_Greasemonkey_for_Chemistry Unfortunately, the JACS TOC jpg does not appear. Can anyone figure out why? Noel _

[Blue-obelisk] Re: Re: Blue Obelisk Firefox toolbar

2007-03-20 Thread Noel O'Boyle
BTW, Noel, it might be interesting to look at that script I linked to in the other reply, which actually puts content from PG in the TOC of the journal. Since Cb is based on the PG software, the API should be the same. Egon 1.http://chem-bla-ics.blogspot.com/2006/12/smiles-cas-and-inchi-in-blogs

[Blue-obelisk] Re: Blue Obelisk Firefox toolbar

2007-03-20 Thread Noel O'Boyle
On 17/03/07, Noel O'Boyle <[EMAIL PROTECTED]> wrote: What would you like to see on a Blue Obelisk Firefox toolbar? Here are some ideas, some of which I think are trivial to implement, would be instantly useful and greatly increase our world domination: (1) Click on the little pro

[Blue-obelisk] Re: Blue Obelisk Firefox toolbar

2007-03-19 Thread Noel O'Boyle
On 17/03/07, Noel O'Boyle <[EMAIL PROTECTED]> wrote: What would you like to see on a Blue Obelisk Firefox toolbar? Here are some ideas, some of which I think are trivial to implement, would be instantly useful and greatly increase our world domination: (1) Click on the little pro

[Blue-obelisk] Blue Obelisk Firefox toolbar

2007-03-17 Thread Noel O'Boyle
What would you like to see on a Blue Obelisk Firefox toolbar? Here are some ideas, some of which I think are trivial to implement, would be instantly useful and greatly increase our world domination: (1) Click on the little protein button, and all pdb codes in the text become highlighted, and cha

[Blue-obelisk] BODR and cclib test files

2007-02-28 Thread Noel O'Boyle
Considering the recent release of the Chemical Test File Repository, I was wondering whether BODR is interested in comp chem log files. I create a release every so often of the comp chem log files that have historically broken cclib. In this way, these log files define the parsers used in cclib, a

[Blue-obelisk] EU Petition

2007-02-14 Thread Noel O'Boyle
From Nature 8-Feb-07: Campaigning for open access gets easier Organizers of an Internet petition supporting free access to scientific results have hit a nerve. Nearly 18,000 people and institutions have signed up since 17 January. "I think it is one of those interesting viral network sort of eff

[Blue-obelisk] Yahoo pipes

2007-02-12 Thread Noel O'Boyle
Maybe some of you can think up of some nice uses for Yahoo Pipes, which seems to be a "Pipeline Pilot for RSS feeds": http://pipes.yahoo.com Regards, Noel ___ Blue-obelisk mailing list Blue-obelisk@hardly.cubic.uni-koeln.de http://hardly.cubic.uni

[Blue-obelisk] BODR mentioned in latest Linux Format

2007-02-06 Thread Noel O'Boyle
gElemental (a fork of gPeriodic) got a write up in the latest Linux Format (available on paper only). One of the coming attractions is integration of the BODR, which is mentioned in the review as a very positive idea... Noel ___ Blue-obelisk mailing lis

[Blue-obelisk] Re: Salon magazin: Science publishers get stupid

2007-02-01 Thread Noel O'Boyle
Not to disagree with your main points, but in relation to European bodies promoting open data, the European Bioinformatics Institute has the following mission statement on their web page: """ Our mission * To provide freely available data and bioinformatics services to all facets of the scient

[Blue-obelisk] Open Access EU petition

2007-01-29 Thread Noel O'Boyle
I'm forwarding this message from a PLOS announcement list, as I think several of you will be interested in supporting this... Forwarded Message From: Mark Patterson <[EMAIL PROTECTED]> To: [EMAIL PROTECTED] Subject: PROOF: Join PLoS and Sign the EC Petition Date: Fri, 26 Jan 200

[Blue-obelisk] Changes to the SVN address for sourceforge projects

2006-12-05 Thread Noel O'Boyle
Apologies for cross posting, but those of you who use Subversion with sourceforge projects will probably be interested in the following notice: http://sourceforge.net/docs/E09/en/#notice """ On November 31, 2006 the access method for Subversion changed. This document reflects those changes. The

[Blue-obelisk] Re: Python Cheminformatics Framework

2006-11-22 Thread Noel O'Boyle
As an aside, I note that BioJava and BioPython are completely different. As are BioPython and BioPerl, for instance. They are not parallel implementations of the same functionality, but different implementations of some of the same functionality. I think we should try to avoid this situation. Noe

[Blue-obelisk] Re: Python Cheminformatics Framework

2006-11-22 Thread Noel O'Boyle
Well, I *have* to add something to this discussion, even if it's just to reiterate the points made by Rajarshi and Geoff. :-) I think that using the currently available cheminformatics toolkits from Python is a much better idea than reimplementing algorithms in a different language. For Java libr

[Blue-obelisk] Gmane RSS feed now available

2006-11-16 Thread Noel O'Boyle
It seems that Gmane have added blue-obelisk. You can subscribe to rss feeds for the BO mailing list here: http://dir.gmane.org/gmane.science.chemistry.blue-obelisk Noel ___ Blue-obelisk mailing list Blue-obelisk@hardly.cubic.uni-koeln.de http://hardly.c