[phenixbb] Reference model restraints

[Oleg Sobolev]

Hello Luca,

You can refer to this tutorial:
https://www.youtube.com/watch?v=qB8W_6yuw5k&ab_channel=PhenixTutorials
which exemplifies setting custom parameters in phenix.refine, but
real-space-refine has exactly the same machinery.

Also you can prepare a .eff file with parameters you need to set and supply
it as input file along with model and data files.

Best regards,
Oleg Sobolev.

On Wed, Aug 31, 2022 at 2:55 AM Luca Pellegrini <lp212 at cam.ac.uk> wrote:

> Hello,
>
> Phenix.real_space_refine keeps pushing a residue out of density so I'd
> like to restrain it to its current position. Can you please let me know how
> to implement in the GUI the first example at point 14 at
> https://phenix-online.org/documentation/reference/real_space_refine.html#usage-examples?
>
> phenix.real_space_refine model.pdb map.mtz \
> reference_coordinate_restraints.enabled=true \
> reference_coordinate_restraints.selection="chain A and resseq 12:21" \
> reference_coordinate_restraints.sigma=0.05
>
> Best wishes,
> Luca
>
> Luca Pellegrini, PhD
> Department of Biochemistry
> University of Cambridge
> Cambridge CB2 1GA
> UK
>
>
>
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