InitializeByBins

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InitializeByBins

This mover randomizes a stretch of polymer backbone in a biased manner, based on the probability of transitioning from one mainchain torsion bin at position i to another mainchain torsion bin at position i+1. See the documentation on bin probability transitions for details. See also the "randomize_backbone_by_bins" GeneralizedKICperturber, which does something similar while enforcing chain closure, permitting this to be a local rather than a global move. Note that this mover is intended to be usable with any polymeric residue type, provided a bin transition probability file can be generated for the type in question.

<InitializeByBins name="(&string)" bin_params_file="(&string)" start="(0 &int)" end="(0 &int)" />

bin_params_file: A bin transition probability file specifying the probabilities of transitioning from a given bin at position i to another given bin at position i+1.
start: The start of the residue range to which the perturbation will be applied. If zero, then this is set to the first residue in the pose.
end: The end of the residue range to which the perturbation will be applied. If zero, then this is set to the last residue in the pose.

InitializeByBins

InitializeByBins

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