The following finds no matches: m = Chem.MolFromSmiles('C1P->[Zr+3]<-1') m.GetSubstructMatches(Chem.MolFromSmarts('C1P->[Zr+3]<-1’))
But all these work: m.GetSubstructMatches(Chem.MolFromSmiles('C1P->[Zr+3]<-1’)) m.GetSubstructMatches(Chem.MolFromSmarts('[*]->[Zr+3]’)) m = Chem.MolFromSmiles('C1P-[Zr+3]-1') m.GetSubstructMatches(Chem.MolFromSmarts('C1P-[Zr+3]-1’)) Is this a bug, or is there something I’m missing with regard to the first case? Best regards, Jan _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss