[phenixbb] Restraining to existing model

Frank von Delft frank.vondelft at sgc.ox.ac.uk
Thu Oct 11 13:53:10 PDT 2007

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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