Hi John and Greg, I now understand better what happens, thank you for your responses!
However, in this precise case, I need to not consider these atoms as stereocenters, so I just remove them from the list returned by FindMolChiralCenters. When I generate conformations, I still get the different possible geometries, which is good news for me. Cheers, Jose Manuel ------------------------------------------------------------------------------ Monitor Your Dynamic Infrastructure at Any Scale With Datadog! Get real-time metrics from all of your servers, apps and tools in one place. SourceForge users - Click here to start your Free Trial of Datadog now! http://pubads.g.doubleclick.net/gampad/clk?id=241902991&iu=/4140 _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
