[phenixbb] how not to refine residue X?

Pavel Afonine pafonine at lbl.gov
Tue Jan 19 10:43:38 PST 2016


Hi Murpholino,

disable individual_sites_real_space which at present is not respecting 
sites.individual selections.
SA is also not respecting sites.individual but refines entire model.

Let me know if this does not solve the problem.

Pavel

On 1/19/16 10:31, Murpholino Peligro wrote:
> Hi.
> How to tell phenix.refine to leave residue X during refinement?
>
> I already tried in the .eff
>
> >>>
> strategy = *individual_sites *individual_sites_real_space rigid_body \
>                *individual_adp group_adp tls *occupancies group_anomalous
>     sites {
>       individual = not (chain A and resid 97)
>
> <<<
>
> But resid 97 is being moved to another position.
>
> I am using phenix.refine_1.10.1-2155
>
> Thanks
>
>
>
>
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