[phenixbb] Reference model restraints in real space refinement?
pafonine at lbl.gov
Sun Apr 12 10:16:28 PDT 2015
> Is it possible to use reference model restraints at the moment during real space refinement (in phenix.real_space_refine)? I can’t see it in the documentation.
> On a related note, would it be possible at some point to allow users to set d_max in the phenix.map_to_structure_factors utility?
It is possible in current Phenix:
phenix.map_to_structure_factors map.ccp4 d_min=2
Note, d_min cannot be arbitrary as it needs to satisfy sampling
No d_max though as I could not imagine a valid reason for cutting the
low-res reflections. It's easy to add but I would like to understand why
this is necessary before I do it.
I think whether you get a box or a sphere with reflections is governed
by the "box" keyword that is False by defalut (so that by default you
get a sphere). Isn't it the case?
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