[phenixbb] Restraining to existing model

Pavel Afonine pafonine at lbl.gov
Thu Oct 11 13:59:09 PDT 2007

Hi Frank,

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.
> Thanks
> phx
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