Hello: I am just wondering is it possible for babel to generate multiple conformation for a ligand and return the energy for each conformation?
I only found: http://openbabel.org/wiki/Obconformer It can generate one lowest energy conformation..... I also found this: http://open-babel.readthedocs.org/en/latest/3DStructureGen/multipleconformers.html When I followed the command, it generate many conformation with serious atom clashes.... I am just wondering can we use obconformer generate multiple low energy conformation? Thank you very much Albert ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
