On dimanche 01 juin 2008, Roni Gordon wrote:
> I'm trying to extract PDB/CIF files from a multi-structure SDF file. At
> the moment, I'm just writing out one at a time (based on molecule #
> using -f and -l command-line options). I have confirmed that the
> extract is correct by writing to an intermediate MOL file; however, the
> PDB file that is produced is quite incorrect, with improper
> connectivity, etc., and the corresponding CIF file is also incorrect.