Hi all, I've just come back from the Goslar Conference on Cheminf. There are a couple of OB related items of interest:
(1) Steve Heller suggested we become InChI Trust Supporters, so I've signed us up. I think this means we can go to the AGM if we want, but it's basically a sign of support. (2) Andrew Dalke interviewed me for his new cheminformatics podcast. (3) Greg Landrum and I discussed MolCore. I think we didn't quite understand his point of view. He is happy to use MolCore as the basis for RDKit. *However*, he is not interested in participating in the rewrite of the base code if it does not use RDKit's base code as the starting point. If we decide to go a different route, he will wait until it is stable and then plonk RDKit on top of it. We will need to think about this. Basically, are there molecules we want to support than RDKit cannot? (On this note, we need to start the Skype conversations - we need better communication) (4) Gert Thijs from Silicos was presenting a poster on Spectrophores. There was also other Silicos interest from a few people. (5) Paolo Tosco was wondering about incorporating some simple MD into OpenBabel, eg. for the purpose of ring conformation generation. (6) Andrew Dalke was presenting a poster on his fingerprint work. Perhaps he can coordinate with Chris on getting this into OpenBabel either as a format, or as a fingerprint plugin. - Noel ------------------------------------------------------------------------------ Centralized Desktop Delivery: Dell and VMware Reference Architecture Simplifying enterprise desktop deployment and management using Dell EqualLogic storage and VMware View: A highly scalable, end-to-end client virtualization framework. Read more! http://p.sf.net/sfu/dell-eql-dev2dev _______________________________________________ OpenBabel-Devel mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-devel
