[phenixbb] Restraining to existing model
pafonine at lbl.gov
Thu Oct 11 13:59:09 PDT 2007
this is not available in phenix.refine but it sounds like very easy to
do implement. I will put it in my to-do list.
Frank von Delft wrote:
> Hi, this was discussed some time ago (a few years?) on ccp4: is there a
> way (even a fudge) to restrain a refinement at low resolution to an
> existing (much) higher resolution model?
> The scenario: you have a 1.9A structure, beautiful etc. You do a
> ligand soak, get 2.6A data, and only really want to see what's in the
> active site. This requires refinement (to improve phases), but most of
> the structure shouldn't change (often the case, especially if it's the
> the same crystal form). So you only want things to change that really
> are different.
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