2010/5/31 Christian de Bouillé <[email protected]>: > > Thanks for your info > > Could you give me a trick to raise this bug > before waiting for your new version
Changing the atom or bond ordering might help, but I can't guarantee that. Another option (but not really a solution) is to catch the exception and use the non-optimized structure. -greg ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
