[phenixbb] refinement of peptide links in mmcif coordinates (multi character chain identifiers)

Nigel Moriarty nwmoriarty at lbl.gov
Wed Feb 3 08:29:23 PST 2016


Can you send me an example of say three peptides including an AYA?



Nigel W. Moriarty
Building 33R0349, 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

On Wed, Feb 3, 2016 at 7:59 AM, wtempel <wtempel at gmail.com> wrote:

> Dear PHENIX users,
> for a structure with approx. 30 instances of an N-terminal AYA
> (N-acetylalanyl) residue, I have noticed that PHENIX did not restrain
> planarity of the peptide bond with the next residue. What is the
> recommended way of restraining those peptide bonds' dihedral angles and
> bond distances?
> Thank you,
> Wolfram Tempel
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