[phenixbb] (no subject)
Nigel W Moriarty
NWMoriarty at lbl.gov
Sun Apr 4 08:13:09 PDT 2010
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
> phenixbb at phenix-online.org
> 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 : NWMoriarty at LBL.gov
Fax : 510-486-5909 Web : CCI.LBL.gov
More information about the phenixbb
mailing list