Re: [ccp4bb] Monomer_lib_cif from PDB (Sketcher)

2011-08-10 Thread Paul Emsley
On 10/08/11 18:42, Dr. STEPHEN SIN-YIN, CHUI wrote: > Dear CCP4 users, > > I just wonder if this problem can be solved using Sketcher. > When i use Sketcher (PC or linux) in the CCP4 GUI to generate the > monomer_lib.cif of a ligand (V3OAc.pdb) obtained from CCDC, the geometry of > this > ligand ch

[ccp4bb] Monomer_lib_cif from PDB (Sketcher)

2011-08-10 Thread Dr. STEPHEN SIN-YIN, CHUI
Dear CCP4 users, I just wonder if this problem can be solved using Sketcher. When i use Sketcher (PC or linux) in the CCP4 GUI to generate the monomer_lib.cif of a ligand (V3OAc.pdb) obtained from CCDC, the geometry of this ligand change (see V3Oand the attached files are used. Any comment is high