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TaskAwareMinMover

Autogenerated Tag Syntax Documentation:


XRW TO DO

<TaskAwareMinMover name="(&string;)" chi="(&bool;)" bb="(&bool;)"
        jump="(&bool;)" max_iter="(200 &positive_integer;)"
        type="(lbfgs_armijo_nonmonotone &minimizer_type;)"
        tolerance="(0.01 &real;)" cartesian="(false &bool;)"
        bondangle="(0 &bool;)" bondlength="(0 &bool;)"
        task_operations="(&task_operation_comma_separated_list;)"
        packer_palette="(&named_packer_palette;)" scorefxn="(&string;)" />
  • chi: Allow chi degrees of freedom to minimize
  • bb: Allow bb degrees of freedom to minimize
  • jump: Allow jump degrees of freedom to minimize
  • max_iter: Number of iterations
  • type: Minimizer type, chosen from a long list of algorithms
  • tolerance: Minimization tolerance (absolute)
  • cartesian: Use cartesian minimization (not internal coordinate)
  • bondangle: Minimize bond angle degrees of freedom
  • bondlength: Minimize bond length degrees of freedom
  • task_operations: A comma-separated list of TaskOperations to use.
  • packer_palette: A previously-defined PackerPalette to use, which specifies the set of residue types with which to design (to be pruned with TaskOperations).
  • scorefxn: Name of score function to use

Performs minimization. Accepts TaskOperations via the task_operations option e.g.

task_operations=(&string,&string,&string)

to configure which positions are minimized. Options

chi=(&bool) and bb=(&bool) jump=(0 &bool) scorefxn=(score12 &string)

control jump, sidechain or backbone freedom. Defaults to sidechain minimization. Options type, and tolerance are passed to the underlying MinMover.

To allow backbone minimization, the residue has to be designable. If the residue is only packable only the side chain will be minimized.

See Also