Hi, all Is it possible use GetSubstructMatches() to match a substructure with one or two atom different from ref_mol? (eg. a Piperidine ring and a Piperazing ring)
And how to get the RMSD between corresponding atoms of two substructures? _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
