Monday, 18 April 2011

Last chance to apply to attend Open Babel users' workshop

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Apply before Apr 22nd to attend the 2nd Open Babble , a hands-on Open Babel workshop presented by Open Babel developers Chris Morley, Tim V...
Thursday, 14 April 2011

Review of Data Analysis with Open Source Tools

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A little while ago, I reviewed Gnuplot in Action by Philipp Janert. One of the aspects of that book that I liked the most was the inclusio...
Tuesday, 12 April 2011

Playing GAMESS with Avogadro and wxMacMolPlt

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I've put together a tutorial to show how to setup, run and analyse basic QM calculations using Avogadro , GAMESS and wxMacMolPlt (resp...
1 comment:
Monday, 4 April 2011

PyRx - AutoDocking made simple

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I recently presented an AutoDock tutorial at the EBI based around PyRx 0.8 , an impressive GUI for AutoDock and Vina by Sargis Dallakyan . I...
11 comments:
Thursday, 24 March 2011

Announcing 2nd Open Babble - Pre-registration now open

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Pre-registration is now open for the 2nd Open Babble , a hands-on Open Babel workshop presented by Open Babel developers. This will take pla...
Monday, 21 March 2011

Confab, a systematic conformation generator, published in J Cheminf

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My paper on Confab has just been published by the Journal of Cheminformatics . Confab is a systematic (and exhaustive) conformation genera...
17 comments:
Monday, 14 March 2011

Can we use game consoles for chemistry? Yes WiiChem

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I've written about using the Kinect to control Jmol, but there's another game console gadget that's been around for some time t...
1 comment: