[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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