TaskAwareMinMover

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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.

TaskAwareMinMover

TaskAwareMinMover

See Also