[phenixbb] Restraints file for a new amino acid residue

Nigel Moriarty nwmoriarty at lbl.gov
Wed Nov 14 10:13:58 PST 2012


It should link automatically if the criteria as listed in the previous post
are followed. You can check it in the .geo file. I'm happy to take a look
at it if you send me the model or even just the three residues involved on


NB. Any files sent to me will be held in strictest confidence.

On Wed, Nov 14, 2012 at 10:07 AM, Agnes Thiane Pereira Machado <
agnes_thiane at hotmail.com> wrote:

> Hi
>  We are trying to refine a protein structure with a (covalently)
>  modified residue. The colosest discussion to our problem is:
> http://www.phenix-online.org/pipermail/phenixbb/2010-August/015629.html
>  We ran:
> phenix.elbow --residue SSC ourmodel.pdb
>    And read the due cif file at phenix refinement. The residue by itself is OK, but we were
>  not able to perform the peptide bond between C and N.
> How to complete the .cif file such that it has due restraints for
>  the peptide bond with this modified residue?
>  Agnes
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> phenixbb at phenix-online.org
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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
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