I was wondering why, when I request the conformers (or atoms) from a mol,
and then request the owning mol of the conformer or atom, the two mols are
not the same instance:
>>> mol.GetConformers()[0].GetOwningMol() == mol
False
I'd expect that they would be equal. Or, is there another way to retrieve
the mol instance from an atom or conformer instance?
Seth
------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss