[phenixbb] define angle between groups of atom 'planes' for refinement restraint?

Ralf Grosse-Kunstleve rwgrosse-kunstleve at lbl.gov
Thu Nov 10 09:25:33 PST 2011


Nope.

Maybe you can do it by restraining distances between pairs of atoms?

1st plane: A - B - C - D - E
2nd plane: V - W - X - Y - Z
Distance restraints: A-V, B-W, C-X, D-Y, E-Z

In combination with other restraints this may do what you want.

Ralf

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.
>
>
> Thanks!
>
> F
>
>
>
>
>
> ---------------------------------------------
> Francis E. Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
>
>
>
>
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> phenixbb at phenix-online.org
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>
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