Wednesday, 26 August 2009

Using OpenBabel from Java

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OpenBabel 2.2.3 has just been released and with that, a new release of the Java bindings. The full details on using OpenBabel from Java are ...
4 comments:
Thursday, 20 August 2009

MolCore - a new beginning for OpenBabel and RDKit

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Is it possible to design something exactly right first time? In the world of software design, the answer is no. There are some design decisi...
Monday, 17 August 2009

How does rescoring improve results in docking?

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Despite more than a decade of research into improved scoring functions, a scoring function that can accurately predict binding affinities re...
1 comment:

A cheminformatics journal by any other name...

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Over at Wiley, QSAR and Combinational Scienc e is retiring to make way for Molecular Informatics from 2010. The website is molinf.com . The...
4 comments:
Wednesday, 22 July 2009

Services built around open source software

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Computer-aided chemistry is used today by all the major high-technology companies that are active in chemistry. Just like the meteorologist ...
3 comments:

TwirlyMol - Status update re world domination

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TwirlyMol was the world's first Javascript molecular viewer with shadows . It has been described as "and of course the shadows are...
2 comments:
Wednesday, 15 July 2009

ANN: Symposium on Visual Analysis of Chemical Data (ACS Spring 2010)

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Update 06/Sept/09: See second call for papers. First Call for Papers: Visual Analysis of Chemical Data 239th ACS National Meeting San Fran...
2 comments: