Autogenerated Tag Syntax Documentation:


XSD XRW: TO DO

<DisulfideInsertion name="(&string;)" scorefxn="(&string;)"
        n_cyd="(&non_negative_integer;)" c_cyd="(&non_negative_integer;)"
        chain="(&non_negative_integer;)" constraint_weight="(&real;)" >
    <MoveMap name="(&string;)" bb="(&bool;)" chi="(&bool;)" jump="(&bool;)" >
        <Jump number="(&non_negative_integer;)" setting="(&bool;)" />
        <Chain number="(&non_negative_integer;)" chi="(&bool;)" bb="(&bool;)" />
        <Span begin="(&non_negative_integer;)" end="(&non_negative_integer;)"
                chi="(&bool;)" bb="(&bool;)" bondangle="(&bool;)" bondlength="(&bool;)" />
        <ResidueSelector selector="(&string;)" chi="(&bool;)" bb="(&bool;)"
                bondangle="(&bool;)" bondlength="(&bool;)" />
    </MoveMap>
</DisulfideInsertion>
  • scorefxn: Name of score function to use
  • n_cyd: XSD XRW: TO DO specifiy n_cyd and c_cyd or neither
  • c_cyd: XSD XRW: TO DO specifiy n_cyd and c_cyd or neither
  • chain: XSD XRW: TO DO
  • constraint_weight: XSD XRW: TO DO

Subtag MoveMap: MoveMap specification

  • bb: move backbone torsions?
  • chi: move sidechain chi torsions?
  • jump: move all jumps?

Subtag Jump: jumps are the not-chemistry internal coordinate connections between separate parts of your pose

  • number: (REQUIRED) Which jump number (in the FoldTree)
  • setting: (REQUIRED) true for move, false for don't move

Subtag Chain: this controls a kinematically contiguous chain (think protein chains)

  • number: (REQUIRED) which chain?
  • chi: (REQUIRED) move sidechain chi torsions?
  • bb: (REQUIRED) move backbone torsions?

Subtag Span: XRW TO DO, probably a user-defined region of the Pose

  • begin: (REQUIRED) beginning of span
  • end: (REQUIRED) end of span
  • chi: (REQUIRED) move sidechain chi torsions?
  • bb: (REQUIRED) move backbone torsions?
  • bondangle: move 3-body angles?
  • bondlength: move 2-body lengths?

Subtag ResidueSelector: Residue selector defined region of the Pose.

  • selector: (REQUIRED) Residue selector
  • chi: (REQUIRED) move sidechain chi torsions?
  • bb: (REQUIRED) move backbone torsions?
  • bondangle: move 3-body angles?
  • bondlength: move 2-body lengths?