[Rdkit-discuss] How to get substructure matches with different atoms?

[Masgils <ma...@16...>]

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?