[phenixbb] weight_selection_criteria

Mark A Saper saper at umich.edu
Thu Feb 6 14:55:13 PST 2014

Can anyone explain what the weight_selection_criteria parameters (see below)?  How do they interact with other weights.  Are they still used if I set optimize_xyz_weight=TRUE?  I'm using dev-1616.

      optimize_xyz_weight= False
      optimize_adp_weight= False
      wxc_scale= 0.5
      wxu_scale= 1.0
      wc= 1.0
      wu= 1.0
      fix_wxc= None
      fix_wxu= None
      shake_sites= True
      shake_adp= 10.0
      regularize_ncycles= 50
      verbose= 1
      wnc_scale= 0.5
      wnu_scale= 1.0
      rmsd_cutoff_for_gradient_filtering= 3.0
      force_optimize_weights= False
         bonds_rmsd= None
         angles_rmsd= None
         r_free_minus_r_work= None
         r_free_range_width= None
         mean_diff_b_iso_bonded_fraction= None
         min_diff_b_iso_bonded= None

Mark A. Saper, Ph.D.				
Associate Professor of Biological Chemistry, University of Michigan
c/o Biophysics, Chem 3040
930 N University Ave
Ann Arbor MI  48109-1055 U.S.A.
saper at umich.edu     phone (734) 764-3353     fax (734) 764-3323

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