> C-Se bond (e.g., in context Se-CH3) is not recognized as rotable. Is > there any reason for it?
I assume you mean the OBBond::IsRotor() descriptor? I would check the hybridization of the Se atom. Heavier elements do not always have assigned hybridizations -- one reason I'd like to minimize the reliance on that property. Hope that helps, -Geoff ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
