[phenixbb] Can Phenix fix rotamers for several residues only?

Edward A. Berry BerryE at upstate.edu
Sun Aug 29 06:57:50 PDT 2010


Pavel Afonine wrote:
> Hi Ed,
>
>> If nothing else works, can I change this factor with:
>> real_space_refinement {
>> mode = simple *diff_map
>> target_map_name = 2mFo-DFc
>> model_map_name = Fc
>> grid_resolution_factor = 1./4
>>
>> ? Or its hard-wired for all three maps?
>
> yes, you can change to 1./3 and this should reduce the map size.
>
> Pavel.
>
>
Fix-rotamers is working fine with resolution limited to 2.2A
  and using phenix-1.6.4-486 in Fedora 8 (32 bit).

I'll try higher resolution and if necessary coarser map




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