On Thu, Nov 7, 2013 at 4:06 PM, Igor Filippov <igor.v.filip...@gmail.com>wrote:
> Greg,
>
> Is it available in c++? Also, just to make sure - the argument is a list
> of old positions for each new position?
>
Yes, and yes.
It's MolOps::renumberAtoms():
http://rdkit.org/docs/cppapi/namespaceRDKit_1_1MolOps.html#a96649cb8953d6b3ab6dfd43f639cafd1
-greg
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