[phenixbb] pseudo-translational symmetry refinement
PAfonine at lbl.gov
Tue Apr 29 17:25:52 PDT 2008
Hi Zhiyong Ren,
> The structure was solved by auto-sad at 2.7A. However, the r-factor can not be lowered by phenix.refine (TLS+ADP+rigid). Is there any manipuliations we can do to deal with this situation?
At 2.7A I would use this strategy:
I would also try to use SA: "simulated_annealing=true"
If this will result in over-fitting or any sign of it, then I would play
with target weights: wxc_scale (manually), or just let phenix.refine to
find the optimal one using "optimize_wxc=true" keyword.
Next, I would let phenix.refine fill the water, but since the resolution
is rather low I would tighten water picking criteria.
Try to run it through phenix.autobuild too.
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