[phenixbb] custom planar restraints ?
osobolev at lbl.gov
Fri May 27 09:37:59 PDT 2022
Yes, it is similar to adding bond/angle restraints described here:
The only difference is you would use planarity restraints scope as below
(from the bottom of the doc page):
- 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).
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,
> phenixbb mailing list
> phenixbb at phenix-online.org
> Unsubscribe: phenixbb-leave at phenix-online.org
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