[phenixbb] (no subject)

[Nigel W Moriarty]

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
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>

-- 
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