Hi everyone, Is it possible to get more information on the atom idexes matching fragments when using the module rdSubstructLibrary?
I use GetMatches to have the row indexes of the dataset that match a particular substructure but when there is a match, I would also want to know the atom idexes of each dataset structure involved in the match. Thanks, Alexis
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
