Re: [phenixbb] Refinement with new mtz.file

Hi Aleksandar, 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 water; - run phenix.refine first with all defaults and ask it to generate new free-r set; - 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. Pavel