Hi Tim, Following up on the report by Robert Kiss, I see that isotopes are not differentiated in the symmetry classes returned by FindSymmetry (using OBGraphSym):
>obabel -:[C@](Br)(I)([12CH3])[14CH3] -osmi C(Br)(I)([12CH3])[14CH3] It seems that this would be fixed if I added the isotope (somehow) to OBGraphSymPrivate::GetGIVector(). Is there any reason not to include the isotopes here? - Noel ------------------------------------------------------------------------------ uberSVN's rich system and user administration capabilities and model configuration take the hassle out of deploying and managing Subversion and the tools developers use with it. Learn more about uberSVN and get a free download at: http://p.sf.net/sfu/wandisco-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
