On Dec 13, 2011, at 2:25 AM, Noel O'Boyle wrote: > Also, it will identify them both correctly if the --gen3d is omitted (or > more precisely, if the call to Builder.Build is omitted).
Wait… If I just use the SMILES string, it works? That explains why the unit test didn't catch this. I'll set aside some time tomorrow to look at the bug. -Geoff ------------------------------------------------------------------------------ Systems Optimization Self Assessment Improve efficiency and utilization of IT resources. Drive out cost and improve service delivery. Take 5 minutes to use this Systems Optimization Self Assessment. http://www.accelacomm.com/jaw/sdnl/114/51450054/ _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
