[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.
target_weights
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
weight_selection_criteria
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
Thanks,
Mark
_________________________________
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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