[phenixbb] Fwd: real_space_refine

Pavel Afonine pafonine at lbl.gov
Wed Jul 30 09:23:49 PDT 2014


George,

perhaps you can use reference model restraints machinery to do this..? 
Or perhaps you can tweak corresponding values in 
mon_lib/list/mon_lib_list.cif file..?
Both ways may not be exactly what you want but may offer a reasonable 
work-around.

Why you would like to do this?

Pavel

On 7/30/14, 11:53 AM, George Devaniranjan wrote:
> Hi
>
> I was wondering if there is a way to restrain the omega angles of the 
> structure being refined to its starting values while allowing the phi 
> and psi dihedral angles to vary?
>
> I was looking at
>
> omega_esd_override_value
>
> discard_omega
>
> in phenix.real_space_refine.
>
> Thank you,
> George
>
>
>
>
>
>
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