[Rdkit-discuss] Strange behaviour for GetSubstructMatches with dative bonds

[Jan H. J. <jhj...@ch...>]

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