| RDKit 2011-09: on line 31 of Data/BaseFeatures.fdef it says 'Atomtype ChalcAcceptor [o;+0]' while the description in the line above says '# Removed aromatic sulfur from ChalcAcceptor definition'. As such I guess line 31 should read: 'Atomtype ChalcAcceptor [s;+0]'? Regards, Hans  Silicos-IT is a division of Imacosi bvba De Roskam 35
2970 Schilde Belgium |
------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, 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-novd2d
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
