Jenny You don't need to do anything. The restraints for CSO are in the PHENIX distribution $PHENIX/chem_data/mon_lib/c/CSO.cif If you model corresponds correctly, you should have no trouble running refinement. Running phenix.ready_set (as Ralf mentioned) is still a good idea because it will check that you have the correct CSO residue and it will add hydrogens. Nigel On 4/3/10 6:07 PM, Prof Jennifer Martin (IMB) wrote:
The protein crystal structure I am refining has a redox modification: cysteine sulfenic acid (S-hydroxy cysteine). How do I go about including parameters for this modification in phenix refine? I have found parameters on HIC-UP (under CSO) but these are for XPLOR/CNS.
Many thanks in advance for suggestions,
Jenny Martin University of Queensland _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Nigel W. Moriarty Building 64R0246B, Physical Biosciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov