On 1/14/2014 6:09 AM, Michał Nowotka wrote: > Hi, > > Since there is no open source software converting structure to IUPAC > name (I'm not talking about web services) I was wandering if one can > be implemented using RDkit? Which parts of RDKit would help in doing > that? Any pointers, suggestions?
I've suspicion there's no algorithm for it -- cactus is the only one I found that does it and my impression is they're doing a database search... I'd like to be able to generate systematic names without web searches, too. Dima ------------------------------------------------------------------------------ CenturyLink Cloud: The Leader in Enterprise Cloud Services. Learn Why More Businesses Are Choosing CenturyLink Cloud For Critical Workloads, Development Environments & Everything In Between. Get a Quote or Start a Free Trial Today. http://pubads.g.doubleclick.net/gampad/clk?id=119420431&iu=/4140/ostg.clktrk _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
