Dear Paul, On Tue, Apr 10, 2012 at 11:07 AM, Paul Emsley <paul.ems...@bioch.ox.ac.uk> wrote: > > (Just making sure I have not missed anything...) > > Is there a function that generates unique atom names (using > at->setProp("name", name) presumably) for a given molecule? (I don't see > such a thing).
There is not. The corresponding python is pretty easy, but there's not anything that's currently part of the RDKit. What are you interested in doing with the names? -greg ------------------------------------------------------------------------------ Better than sec? Nothing is better than sec when it comes to monitoring Big Data applications. Try Boundary one-second resolution app monitoring today. Free. http://p.sf.net/sfu/Boundary-dev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss