[phenixbb] Fwd: real_space_refine

[George Devaniranjan]

Hi Pavel,

Thank you, I will look into your suggestions.

*I am confused by omega_esd_override_value *

*What is it supposed to do? *

Why? Again curiosity of what phenix.real_space_refine can do. I am trying
to stretch it to the max and see where is breaks….

Thank you


On Wed, Jul 30, 2014 at 12:23 PM, Pavel Afonine <pafonine at lbl.gov> wrote:

>  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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