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 <chicago...@gmail.com> wrote:
>
> 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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