This is the secondary mover of the FunFolDes protocol; required for multi-segments motifs.

Autogenerated Tag Syntax Documentation:

Applies CCD closure to a NubInitioMover result, being aware of its restrictions through labels.

<NubInitioLoopClosureMover name="(&string;)" max_trials="(10 &integer;)"
        fragments_id="(&string;)" break_side="(3 &integer;)"
        break_side_ramp="(0 &bool;)" trust="(0 &bool;)" label="(1 &bool;)"
        design="(0 &bool;)" centroid_scorefxn="(&string;)"
        fullatom_scorefxn="(&string;)" />
  • max_trials: Defines how many times we should try to close the breakpoints before giving up.
  • fragments_id: (REQUIRED) Fragments are necessary to close the loop. They need to be included/created with StructFragmentMover. The value set in the 'prefix' attribute of that Mover needs to be provided here again.
  • break_side: Defines number of sequence neighbors around breakpoint residues (multisegment motif) allowed to minimize in order to achieve the chain break closure.
  • break_side_ramp: In each breakpoint closure trial, increase by one the number of side residues allowed to move.
  • trust: Do nothing on those cutpoints that seem to have been closed before reaching this Mover.
  • label: If set to true (default), labels residues changed by loop_closure to LOOPCLOSURE and repacked residues as REPACKED.
  • design: If set to true (not default), redesigns residues of the closed loops and around as longs as they are labeled as TEMPLATE or COLDSPOT.
  • centroid_scorefxn: Centroid Score function to use.
  • fullatom_scorefxn: Centroid Score function to use.