It's a little hard to give advice on your error without seeing the code. Can
you post the code, e.g. via gist or Pastebin?
Best regards,
-Geoff
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Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geo...@pitt.edu
web: http://hutchison.chem.pitt
Hello,
I'm using OpenBabel for substructure searching of 15000 fragments against a
lead-like dataset. Is there a way to do that using Pybel? On the tutorial
it only describes how to do that with one molecule. I tried to iterate over
a list of smiles/smarts of my fragments but I get a segmentation e
