Hi Pascal, As I suspected the PDB file isn't suitable for my work since we need to detect the correct valence of the atoms and its pharmacophore properties.
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. If you have any suggestion, it'll be welcome. Thanks, best wishes. -- View this message in context: http://forums.openbabel.org/Problem-in-converting-a-PDB-file-to-MOL2-tp4659035p4659038.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
