> I've tried to solve the problem, using FillUnitCell function, but I did not
> succeed. The problem is that the WriteMolecule used OBAtom::GetID function as
> unique identifier, but FillUnitCell used OBAtom::Duplicate function which
> duplicate the ID also (variable _id). Does anybody has any suggestion, how to
> solve the problem correctly.
Definitely OBAtom::Duplicate should not duplicate _id, since this is supposed
to be a unique identifier.
So I'd modify that method and I think you should be OK.
-Geoff
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