Hello Robert, since you are going to use Phenix tools for refinement (phenix.refine, to be precise), then
1) why don't you use Phenix utilities http://phenix-online.org/version_docs/1.9-1688/ to obtain a suitable ligand dictionary (CIF file) assuming that it is going to be more compatible with the program of your choice? 2) why don't you post your question on a more specific mailing list (in this case phenixbb - Phenix mailing list)? Just wondering... Pavel On Thu, May 1, 2014 at 9:46 PM, Robert <ccp4a...@163.com> wrote: > Dear all, > How can I get a cif configure for a new ligand. Right now, I want > to use the phenix to refine a complex structure. But I found that I cannot > get the ligand cif file from the CCP4 search. The ligand > is dibenzothiophene. So do you have any idea to help me. Thanks very much > for your help. > Best wishes. > > > Robert. > > > >
