The 1.0 release of Avogadro has just come out as announced by Geoff, reported by Depth-First, blogged by Marcus (check out the video), and interviewed and microblogged by SourceForge.To quote avogadro.sf.net:
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.Why am I interested in this? Well, firstly it's useful for comp chem, an area in which I still dabble a bit. Secondly, it's going to become more useful for cheminformatics with time (will need to add handling for multi-mol sdf files first). And thirdly, many new features of OpenBabel have been added to address requirements for Avogadro such as 3D conformer generation from SMILES and forcefields, both of which I now use regularly.
Well done, and best of luck to all involved. And what better release date? 6:02 on the 23rd of the 10th.
Actually, it can already edit uncompressed multi-mol SDF files. Handling gzip'ed multi-molecule files is a bid harder because of how Open Babel handles read streams (i.e., you can't get access to the uncompressed stream yet).
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