SteinBlog

A molecular informatics weblog

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Entries Tagged as 'Open Source'

Thanks to those heroes out there …

January 25th, 2009 · No Comments · Life of Chris, Open Source

… for getting Ubuntu Intrepid Ibex Linux ready to run on my sweet little Dell Latitude XT. Things still were a total mess half a year ago when I go this sexy thing. Vista was preinstalled and drove me crazy with the famous Blue-Screen-of-Death, caused by crappy video drivers. I really wanted this tablet thing [...]

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Cheminformatics in JavaScript

December 13th, 2008 · 1 Comment · Chemoinformatics, Open Science, Open Source, People, Scientific Culture

Duan Lian, a colleague from the Laboratory of Molecular Modelling and  Design in Shanghai, is keen on getting more cheminformatics functionality implemented in Javascript and I’m perfectly in line with his goals. He has posted some results at http://chemhack.com/mx-gwt/demo-molecule-structure-rendering, with more certainly to come.

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Creating and Reviewing Patches in the Chemistry Development Kit (CDK)

September 1st, 2008 · 3 Comments · Chemistry Development Kit, Life of Chris, Open Source, Open Standards, Scientific Culture

In order to prevent major turbulences in the main source code development line of the Chemistry Development Kit (CDK), we decided a while ago to have separate branches in our subversion source code management system for each developer and each of his subprojects. Once a project has been finalized by a developer in her branch, [...]

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4th German Conference on Chemoinformatics

July 12th, 2008 · No Comments · Chemoinformatics, CIC, Conferences and Meetings, Life of Chris, Open Access, Open Data, Open Source, People, Publishing, Scientific Culture

The Chemistry-Information-Computer (CIC) division of the German Chemical Society announces the 4th German Conference on Chemoinformatics (22. CIC-Workshop) to be held in Goslar, Germany, November 09-11, 2008.

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There is still need for an open source structure editor applet …

May 21st, 2008 · 1 Comment · Blue Obelisk, Chemistry Development Kit, Chemoinformatics, Databases, Open Science, Open Source

… with a reasonably small footprint … and we’ll soon have one that is actually usable. Well, with the JChemPaint applet, as used in NMRShiftDB, we do have an open source structure drawing applet available but we (as in “the makers”) have to admit that it still has a pretty big foot print. If you [...]

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Bioclipse pirated

March 14th, 2008 · 4 Comments · Bioclipse, Blue Obelisk, Open Science, Open Source, Scientific Culture

A company called InfoCom, located in Arizona, advertises a product called iBioTech , which by all evidence is identical with Bioclipse. They say their iBioTech product has a plugin for chemoinformatics call “bc_cdk” (surprise ) and one called “bc_jmol” for 3D visualization. While this is something that we have explicitly not tried to prevent; still [...]

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Authoring tutorial movies for your software

September 8th, 2006 · No Comments · Conferences and Meetings, Open Source, Publishing, Teaching

In preparation for my wednesday CINF 101 talk in San Francisco I’ve produced my first tutorial movie on how to author nmrshiftdb datasets.

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Chemical Archeology

September 8th, 2006 · No Comments · Open Access, Open Data, Open Science, Open Source, Publishing

In his recent blog item “Chemical Archeology: OSCAR3 to NMRShiftDB.org” Egon Willighagen asks who coined the term “Chemical Archeology”.

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