Thank you very much everyone for your comments. I will try your ideas and try to get this thing to work.
I appreciate your help Meisam On Mon, Mar 31, 2014 at 7:21 PM, Meisam Nosrati <meisam.nosr...@gmail.com>wrote: > Dear CCP4ers > > I have crystallized a protein with a series of ligands that are not in the > PDB. > > I have made the pdb and the torsion libraries in the jligand and given > them the new three letter codes, and then I try the refinement in the > PHENIX or CCP4, but since these ligands are not in the library the > refinement aborts. Even when I open the ligand files in COOT and I import > the cif dictionary, still it does not recognize it, and does not let me > rotate around the bonds. > > I need to know how to fix this problem, and how can I choose the three > letter codes for my ligands that are not already chosen by other people. > > Thanks in advance for your help > > Meisam >
