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 error.
Best wishes,
Marcos Vinicius Santana
M.Sc
Farmacêutico
Universidade Federal Fluminense
Laboratório de Antibióticos, Bioquímica, Ensino e Modelagem Molecular
(LABiEMol)
Niterói, RJ - Brazil
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