On Thu, Nov 7, 2013 at 4:06 PM, Igor Filippov <[email protected]>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
------------------------------------------------------------------------------
November Webinars for C, C++, Fortran Developers
Accelerate application performance with scalable programming models. Explore
techniques for threading, error checking, porting, and tuning. Get the most
from the latest Intel processors and coprocessors. See abstracts and register
http://pubads.g.doubleclick.net/gampad/clk?id=60136231&iu=/4140/ostg.clktrk
_______________________________________________
Rdkit-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
