[phenixbb] custom planar restraints ?

[Oleg Sobolev]

Dear Guenter,

Yes, it is similar to adding bond/angle restraints described here:
https://phenix-online.org/documentation/reference/refinement.html#definition-of-custom-bonds-and-angles
The only difference is you would use planarity restraints scope as below
(from the bottom of the doc page):

   - planarity
      - action = *add delete change
      - atom_selection = None
      - sigma = None

You will have to combine all atoms you want to a single selection, like
"Chain X and resid Z and (name A or name B or name C or name D)", where Z
is residue id (a number).

Best regards,
Oleg Sobolev.

On Fri, May 27, 2022 at 4:48 AM Guenter Fritz <
guenter.fritz.phenix.ccp4 at gmail.com> wrote:

> Dear all,
>
> is it possible to define custom planar restraints, let's say atoms
> A,B,C,D from residue Z should stay in a plane.
>
> Best regards,
>
> Guenter
>
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