Re: [Rdkit-discuss] Generation of stereo-isomers
Open-Source Cheminformatics and Machine Learning
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From: Greg L. <gre...@gm...> - 2015-09-24 22:33:02
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Hi Soren, That functionality isn't currently there, but it's been requested a few times and shouldn't be that tough to get into the next release. -greg On Thursday, September 24, 2015, Soren Wacker <soe...@gm...> wrote: > Hi, > > is it possible with RDKit to generate all stereoisomers of a given > compound? > > If not, is anyone working on it? > > If not, how difficult would it be / what would be the best way to > implement such a function. > > best regards > > Soren > |