> Indeed, we've tried the SDF and it is a good option. However, some small > ligands have covalent bonds with other small ligands and by using the SDF > format we won't able to detect it correctly.
Can you give us some concrete examples of what you mean? -Geoff ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss