[phenixbb] how to create /refine a protein with a modified residue
nwmoriarty at lbl.gov
Thu May 13 11:48:40 PDT 2010
You can run ReadySet! thus
to, among other things, generate a restraints file for any
non-standard residues. Simply pass this to phenix.refine.
On Thu, May 13, 2010 at 11:36 AM, vincent Chaptal
<vchaptal at mednet.ucla.edu> wrote:
> Dear phenixbb,
> i have a protein on which a cysteine has been modified and I can't find
> a way to refine my structure with it.
> this seams like a fairly easy problem as a lot of people are refining
> structures with post-translational modifications, but i can't find the
> info on how to do it.
> Could someone point me to a web page explaining it?
> If i understand correctly, i have to create the modified residue, create
> the restraints, and define it as a L-peptide. Is that correct?
> thanks a lot
> Vincent Chaptal
> Dept. of Physiology at UCLA
> Phone: 1-310-206-1399
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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
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