Dear Cheng, On Sat, Feb 21, 2009 at 11:54 PM, Cheng Wang <[email protected]> wrote: > > I am a newcomer to RDKit and I just start to read the getting start file and > the manual. > What I want to do is to provide a list of species with SMILES and then have > RDKit identify > all the isomers among the species. The species includes hydrocarbons, > aromatics, to name > a few. I would like to know whether this is doable in RDKit (my initial > impression is yes). > If yes, could someone give me some hints on how to do this task or point me > to the right > place in the user manual?
I'm not completely sure what you mean by "all the isomers", can you provide a little bit more specific information about what you'd like to do? -greg
