[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.
Thanks
phx
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