Hi, I’m generating 3D structures, using -gen3D, from 2D structures in an sdf file containing >100,000 records.
This works perfectly in the vast majority of cases, however there are a handful of molecules where the 3D coordination failed. In these cases the 2D structure is copied the output file. Is there an option to only output structures where the 3D generation succeeded? Cheers, Chris _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
