Hi,
> I tested OBAtom.SetAtomicNum(6) but it doesn't "mutate completely", if I
> can say so, the atom.
>
> Well, the formula is not updated after OBAtom.SetAtomicNum(), that's why I
didn't test further yesterday, but the smiles changes. So it's is okay, I
can perform the structure search. Without forgotting to mutate back the
carbon into the original nitrogen for the next analog search...
Regards,
Pascal
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