On Mon, Nov 28, 2011 at 5:31 PM, JP <[email protected]> wrote: > Should you add H before calling Chem.AssignAtomChiralTagsFromStructure ? > I tried the documentation but got no satisfaction on this particular question.
No, you should not. If you have a 3D structure that starts with Hs, you should not remove them (a good practice with 3D structures in general). > Thanks GREG, and happy monday! you're welcome. -greg ------------------------------------------------------------------------------ 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 [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
