[Rdkit-discuss] identify isomers using canonical SMILES

[Cheng W. <che...@ho...>]

Hi,

 

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?

 

Thanks,

Cheng

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