[phenixbb] Reference model restraints in real space refinement?

Edward A. Berry BerryE at upstate.edu
Sun Apr 12 13:45:34 PDT 2015



On 04/12/2015 01:16 PM, Pavel Afonine wrote:
> Hi Oliver,
~~~
> 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?
>
I think the "box" here refers to the artificial orthorhombic unit cell in which the structure factors are calculated- so that if there is no d_max limit, the lowest resolution reflections are the first-order reflections which with resolution equal to the cell edges, i.e. "the box".


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