On Fri, Jul 1, 2011 at 1:40 PM, Greg Landrum <[email protected]> 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 ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
