Autogenerated Tag Syntax Documentation:


AnchoredGraftMover that uses CCD to close loops

<CCDEndsGraftMover name="(&string;)" cycles="(&non_negative_integer;)"
        final_repack="(&bool;)" stop_at_closure="(&bool;)"
        neighbor_dis="(&real;)" skip_sampling="(&bool;)"
        mintype="(&minimizer_type;)" copy_pdbinfo="(&bool;)"
        scaffold_flex_Nter="(&non_negative_integer;)"
        scaffold_flex_Cter="(&non_negative_integer;)"
        insert_flex_Nter="(&non_negative_integer;)"
        insert_flex_Cter="(&non_negative_integer;)"
        Nter_overhang="(&non_negative_integer;)"
        Cter_overhang="(&non_negative_integer;)"
        start="(&refpose_enabled_residue_number;)"
        end="(&refpose_enabled_residue_number;)" cen_scorefxn="(&string;)"
        fa_scorefxn="(&string;)" spm_reference_name="(&string;)" >
    <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>
</CCDEndsGraftMover>
  • cycles: Number of ccd cycles to perform
  • final_repack: perform a final repack of the grafted residues and neighbors
  • stop_at_closure: Stop once chainbreaks are closed
  • neighbor_dis: Distance used to identify neighbors
  • skip_sampling: Skip sampling of backbone torsion angles
  • mintype: Type of minimizer to use
  • copy_pdbinfo: Copy PDBInfo from the pose
  • scaffold_flex_Nter: How many residues to the N terminus of the grafted location in the scaffold should be flexible?
  • scaffold_flex_Cter: How many residues to the C terminus of the grafted location in the scaffold should be flexible?
  • insert_flex_Nter: How many residues in the N terminus of the graft should be flexible?
  • insert_flex_Cter: How many residues in the C terminus of the graft should be flexible?
  • Nter_overhang: Desired size of N terminal overhang
  • Cter_overhang: Desired size of C terminal overhang
  • start: (REQUIRED) Graft begins after this residue in the scaffold. Will delete residues between start and end in the scaffold.
  • end: (REQUIRED) Graft ends before this residue in the scaffold. Will delete residues between start and end in the scaffold.
  • cen_scorefxn: Centroid score function to use
  • fa_scorefxn: Full atom score function to use
  • spm_reference_name: Name of reference pose to use (Use the SavePoseMover to create a reference pose)

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?