scripting_documentation/RosettaScripts/xsd/mover_BfactorFitting

Autogenerated Tag Syntax Documentation:

Fit atomic B factors to maximize model-map correlation.

<BfactorFitting name="(&string;)" wt_adp="(&real;)" wt_dens="(&real;)"
        rmax="(&real;)" scale="(&real;)" radius_exp="(&non_negative_integer;)"
        max_iter="(&non_negative_integer;)" minimizer="(&string;)"
        init="(&bool;)" exact="(&bool;)" verbose="(&bool;)"
        deriv_check="(&bool;)" res_low="(&real;)" res_high="(&real;)"
        nresbins="(&non_negative_integer;)" weights_to_scan="(&real_cslist;)" />

wt_adp: Weight on enforcing nearby atoms to take the same B factors. 0.0005 is generally well-behaved, default=0.001
wt_dens: Weight on density contraints, default=1.0.
rmax: XRW TO DO, default=5.0
scale: Scaling factor. Is multiplied with the weighted scores after wt_adp and wt_dens are applied, default=5000
radius_exp: XRW TO DO, default=1
max_iter: Maximum nr of round before exiting, default=200.
minimizer: Minimizer used for energy minimization. default=lbfgs_armijo_nonmonotone_atol
init: init=1 means to do a quick scan of overall B factors before beginning refinement; if there is more than one call to this mover in a single trajectory, then only the first needs to have init=1
exact: Exact B-factor refinement - recommended. default=false Approximate version can behave poorly and is memory intensive.
verbose: Increase level of output information. default=false
deriv_check: XRW TO DO, default=false
res_low: Low resultion cut off (Angstroms)
res_high: High resolution cut off (Angstrom)
nresbins: This option is not used.
weights_to_scan: List of ??? weights to scan. Finds the optimum one to be used. Default="10,20,...,300"

scripting_documentation/RosettaScripts/xsd/mover_BfactorFitting_type