> Is there an option that I haven’t included that can solve this problem, or is > this a bug that hasn’t been addressed? Any help would be appreciated.
The two formats you mention don't store bond orders. (In particular XYZ only stores atoms - not even bond connections.) OB includes an algorithm to perceive bond orders, but it's hardly foolproof. So if you want to ensure bond orders are preserved, don't use those formats. Best regards, -Geoff ------------------------------------------------------------------------------ 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
