[phenixbb] Refinement with new mtz.file
pafonine at lbl.gov
Tue Jul 22 13:53:49 PDT 2014
okay, from amount of emails it starts seeming to me that the problem is
really exaggerated, while I don't see any problem at all.
Here is the simplest solution that can't fail:
- given new data, forget about old data, remove PDB file header;
- modify model: shake coordinates by 0.5A, shake B-factors, remove all
- run phenix.refine first with all defaults and ask it to generate new
- run phenix.refine again using the outcome of previous run. This time:
-- run say 10 macro-cycles;
-- enable automated water update;
-- enable weights optimization;
-- enable whatever else is appropriate given your data resolution.
This is it.
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