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 --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ > 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. ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
