Hi Openbabel developers,

I am trying to reproduce the data from this paper:
https://www.ncbi.nlm.nih.gov/pubmed/25618349

They listed 20 chemical descriptors used for a pca analysis. I am having
trouble figuring out how they calculated the ring system count. Is there a
way to count the number of ring systems as opposed to standard rings? For
example, spiro rings are considered one instead of two, etc. I simply know
how to get ring count through: mol.OBMol.GetSSSR(). Also, I don't know how
to count the number of R stereocenters and S stereocenters. Is this
possible with Openbabel? I would assume so since it can do a lot of things.
Thank you.



Best regards,


Spencer
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