Hi all, I want to add 2 new ligands (that do not exist in PDB) to my structure. I generated the ligands from PRODRG. The problem is that both of the ligands have the same name DRG. After renaming the ligands in both PDB and CIF files, I always get this error message "CIF dictionary does not contain restraints" whenever I try to do refinement. Prior to renaming, both ligands were recognized by COOT when they were named DRG. So, the CIF files themselves are ok and it must be something to do with the renaming that is causing the error. I am wondering whether renaming the ligands has changed the CIF file subtly and causing COOT and other refinement programs to not read it right?
Cheers, Ai Fen
