OK, I have a ligand and I want to move it around in my density. I have a cif file, but coot treats the molecule as a rigid structure and so I can't move a specific part of the structure, without moving the whole thing.
I am sort of working around this problem by going into the pdb file of the ligand and renaming parts of it as below. Instead of the whole thing being called DRG, I changed it. ATOM 2501 NAT DRA D 1 N ATOM 2502 CAZ DRA D 1 C ATOM 2503 CAK DRA D 1 C ATOM 2504 CAI DRB D 1 C ATOM 2505 SAV DRB D 1 S ATOM 2506 CBB DRC D 1 C ATOM 2507 CAY DRC D 1 C But, when I come to do Rotate/Translate zone, coot crashes. Does anyone know a good way to achieve what I want, avoiding manipulating the pdb file? cheers
