[phenixbb] define angle between groups of atom 'planes' for refinement restraint?
nwmoriarty at lbl.gov
Thu Nov 10 07:56:09 PST 2011
If you have the two planar groups you just need to define a torsion
with the first three atoms in plan-1 and the last three atoms in
plan-2. Ensure there are no conflicting torsions or chirals. I'd be
happy to take a look at you files once you've tried to edit it to your
specs. I'd used REEL to edit the file.
NB. Any files sent to me will be held in strictest confidence.
On Thu, Nov 10, 2011 at 7:46 AM, Francis E Reyes
<Francis.Reyes at colorado.edu> wrote:
> Hi all
> I was wondering if there was language in the monomer restraint libraries (.cif) or a custom phenix.refine geometry restraint a that defines an angle between two planes, where each plane is a group of coplanar atoms.
> Francis E. Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
> phenixbb mailing list
> phenixbb at phenix-online.org
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