Re: [Rdkit-devel] Beta of Q2 2011 Release Available
Open-Source Cheminformatics and Machine Learning
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From: Gianluca S. <gi...@gm...> - 2011-07-07 07:53:50
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On Fri, Jul 1, 2011 at 1:40 PM, Greg Landrum <gre...@gm...> wrote: > One highlight I will call your attention to is that, thanks to some > nice work from Eddie Cao, it is now possible to generate InChI codes > from within the RDKit : I just tried to build the beta into RPM packages; I've read that inchi support is optional, so I guess there is a new cmake switch to trigger it. However, all py* tests are now failing because "from inchi import *" gives an ImportError. Probably I'm missing something obvious here, but given that import line is in rdkit/Chem/__init__.py that means python bindings are basically unusable right now unless you also activate Inchi support. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu |