Autogenerated Tag Syntax Documentation:


This mover performs a cyclic-aware crankshaft flip at a residue position.

References and author information for the CrankshaftFlipMover mover:

CrankshaftFlipMover Mover's citation(s): Eastwood JRB, Jiang L, Kirshenbaum K, and Renfrew PD. (2022). Evaluating the Conformations and Dynamics of Peptoid Macrocycles. The Journal of Physical Chemistry B 126 (28), 5161-5174. doi: 10.1021/acs.jpcb.2c01669.

<CrankshaftFlipMover name="(&string;)" allow_peptoid_flips="(true &bool;)"
        allow_peptide_flips="(true &bool;)" allow_pre_gly_flips="(true &bool;)"
        tolerance="(20.0 &real;)" residue_selector="(&string;)" />
  • allow_peptoid_flips: Allow peptoid type crankshaft flips
  • allow_peptide_flips: Allow peptide type crankshaft flips
  • allow_pre_gly_flips: Allow pre-gly type crankshaft flips
  • tolerance: Half-width of allowed range for peptoid and pre-gly flips
  • residue_selector: Previously-defined ResidueSelector, specifying the subset of residues to which the mover will be applied. 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.