> I'm having problems when generating 3D molecules using the Python bindings. > This may be a result of the molecule containing charges, but I'm not certain > about this.
I haven't seen that problem (interlocking rings) in a long time. Are you sure your Python bindings are using OB 3.1? You can also try something like this: gen3d = openbabel.OBOp.FindType("gen3D") gen3d.Do(mymol.OBMol, "--best") -Geoff _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss