Yes, go backwards through the index list.
for index in sorted(indices, reverse=True):
mol.RemoveAtom(index)
Indices are only changed if they are higher than the removed index.
Brian Kelley
> On Jun 25, 2017, at 10:16 AM, Changge Ji wrote:
>
> Dear all,
>
> Is
Dear all,
Is there an easy way to delete several atoms in a molecule according to an
index list ?
RWMol RemoveAtom() can only delete one atom each time.
And after that, the index changed.
Many Thanks.
Best,
Changge
Changge Ji
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