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MinimizationRefiner

Perform gradient minimization on the loop being sampled. Both the sidechain and backbone atoms are allowed to move, and no restraints are used. This mover a default refiner in LoopModeler's centroid and fullatom steps, and often accounts for a majority of LoopModeler's runtime.

<MinimizationRefiner name="(&string)" scorefxn="(&string)" loops_file="(&string)"/>

Options:

  • scorefxn: The score function used for rotamer trials. Required if not being used as a subtag within some other LoopMover.

  • loop_file: See LoopModeler.

Subtags:

  • Loop: See LoopModeler.

Caveats:

  • See LoopModeler.

See Also