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RandomizeBBByRamaPrePro

Author: Vikram K. Mulligan (vmulligan@flatironinstitute.org)

Autogenerated Tag Syntax Documentation:


The RandomizeBBByRamaPrePro mover randomizes a backbone, or selected residues in a backbone, biased by the Ramachandran preferences of each amino acid, using the RamaPrePro energy term (which uses different scoring tables for positions before proline/peptoids than it does for other positions).

<RandomizeBBByRamaPrePro name="(&string;)" residue_selector="(&string;)" />
  • residue_selector: An optional residue selector. If provided, the mover will only randomize the subset of residues that are selected. If not provided, then the mover is applied to the whole pose. The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.

See Also

  • SetTorsionMover: Set, perturb, or randomze a given torsion or set of torsions.
  • InitializeByBins: Randomize a stretch of backbone based on the probability of observing Ramachandran bins X1 and X2 at positions i and i+1.
  • Movers: Available Movers
  • I want to do x: Guide to choosing a mover