Dear, When converting every entry of a multimolecule .sd file to the .can smiles format in Python 3.5, I get the following error approximately 30 times for 23000 entries:
*** Open Babel Error in OpenBabel::CanonicalLabelsImpl::CalcCanonicalLabels maximum time exceeded... ============================== Empirically, I figured out that for a smaller test set no errors would occur and that only very large molecules will result in this error. Is there any way of dealing with this error? Thank you, Jan-Joris -- View this message in context: http://forums.openbabel.org/Maximum-time-exceeded-tp4659742.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ 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
