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Each mover definition has the following structure

<mover_name name="&string"/>

where "mover_name" belongs to a predefined set of possible movers that the parser recognizes and are listed below, name is a unique identifier for this mover definition and then any number of parameters that the mover needs to be defined.

Because of historical reasons or subtle differences in the desired functions. Some of the movers are near-duplicate. Read more about the comparision of these near-duplicate movers.

Predefined Movers

Predefined Movers are defined internally in the parser, and the protocol can use them without defining them explicitly.

NullMover - Does nothing.

Meta Movers

Meta Movers don't do anything to the pose themselves, but combine or modify the application of other movers and filters.

Mover Description
RunSimpleMetrics Run an arbitrary set of SimpleMetrics and add their returned data to the pose and output scorefile. Can set prefix/suffix and run multiple sets of metrics in a single RosettaScript run. All SimpleMetrics can also be used for filtering and for features reporters.

Combining Movers

Mover Description
ParsedProtocol (formerly DockDesign) - Make RosettaScripts subroutines.
MultiplePoseMover Allows "distribute and collect" from certain submovers.
MultipleOutputWrapper Convert a single output mover to multiple output.
Subroutine Run another XML file as a subroutine.
ContingentAcceptMover Fail if a submover doesn't improve a filter value.
IfMover Run different movers based on a filter value.
RandomMover Randomly choose a mover from a weighted list.
SwitchMover Allows to select between a group of declared movers.

Looping/Monte Carlo Movers

Mover Description
GenericMonteCarlo Repeatedly apply a mover in a Monte Carlo fashion.
GenericSimulatedAnnealer Repeatedly apply a mover in a Monte Carlo fashion with ramped temperatures.
IteratedConvergence Repeatedly apply a mover until a filter gives stable values.
LoopOver Repeatedly apply a mover.
MonteCarloTest Tests the Monte Carlo criterion of a mover
MonteCarloRecover Recovers a pose from the generic monte carlo mover
MonteCarloUtil (developer release only) Recovers the lowest energy pose of a given Monte Carlo object
MetropolisHastings Performs Metropolis-Hastings Monte Carlo simulations
RampMover Repeatedly apply a mover while changing a score term.

Reporting/Saving

Mover Description
AddJobPairData Add a key:value pair to the current job for inclusion in output
CstInfoMover Add details about constraint satisfaction to the scorefile
DumpPdb Save a pose to disk.
FilterReportAsPoseExtraScoresMover Records Filter values to the scorefile
MetricRecorder Record metrics in a text file
PDBTrajectoryRecorder Records a multimodel PDB file
PyMolMover Send a pose to PyMol
RenderGridsToKinemage (for debugging) Creates a Kinemage file containing scoring grid(s)
ReportToDB Report structural data to a relational database.
ReportXYZ Report X Y Z of specific residue to score line
ResetBaseline Reset the baseline (not needed for MC)
SavePoseMover Save or retrieve a pose for use in another mover/filter.
SilentTrajectoryRecorder Records a trajectory in a silent file
StorePoseSnapshot Store a snapshot of the current residue numbering in the pose as a named reference pose, so that subsequent movers can use the current state's residue numbering even if residue numbering has changed.
TrajectoryReportToDB Reports multiple structures to an output forming a trajectory
WriteLigandMolFile Create a V2000 mol file for each pose
AddResidueLabel Add PDBInfoLabel to your current pose based on a selection.
LabelPoseFromResidueSelectorMover Add and remove PDBInfoLabel to the Pose according to a given selection.
DisplayPoseLabelsMover Print on screen the labels assigned to each residue and save them to the silent file as REMARKS.

Setup Movers

Mover Description
SetupPoissonBoltzmannPotential Runtime environment initialization for the PB solver (ddG mover)

"Best Practices" Movers

These are movers that allow users to carry out common tasks that one would frequently wish to carry out in particular circumstances (e.g. setting a pose up for design, with sequence constraints to impose prior knowledge about typical protein amino acid compositions).

Mover Description
AddHelixSequenceConstraints Adds sequence composition constraints (to be used with the aa_composition score term) to encourage subsequent design steps to produce sensible amino acid sequences for each helix in a pose or a selection.

General Movers

These are movers that should be usable in most cases with most systems

Analysis Movers

Mover Description
ScoreMover Scores the pose
LoopAnalyzerMover Computes protein loop-specific metrics
InterfaceAnalyzerMover Computes protein-protein interface metrics

Simple Sequence Design

Mover Description
FixBB Sequence design on a fixed backbone
FlexibleBBdesign Sequence design with backbone minimization
FastDesign Performs FastRelax all-atom refinement, but adds design-related features

Backbone Movement

Mover Description
Backrub Makes local rotations around two backbone atoms
BackboneGridSampler Generates a residue chain and samples torsion angles
InitializeByBins Randomizes stretches of backbone based on torsion bins
PerturbByBins Perturbs stretches of backbone based on torsion bins
SetTorsion Sets torsion to a specified or random value
Shear Makes shear-style torsion moves that minimize downstream propagation
Small Makes small-move-style torsion moves (no propagation minimization)
NormalModeRelax Brings concerted motion to backbones using Anisotropic Network Model (ANM)
CartesianMD Brings concerted motion to backbones using Cartesian-space molecular dynamics

Comparative Modeling

Mover Description
HybridizeMover Use single or multiple templates to generate a combined model. Part of RosettaCM.
SimpleThreadingMover Thread sequences onto structures. Nothing fancy here.

Constraints

Mover Description
CstInfoMover Add details about constraint satisfaction to the scorefile
AddCompositionConstraintMover Adds sequence constraints related to the amino acid composition, enforced by the aa_composition score term.
AddConstraintsToCurrentConformationMover Adds constraints based on the current conformation
AddNetChargeConstraintMover Adds sequence constraints to penalize deviation from a desired net charge, enforced by the netcharge score term.
AddMHCEpitopeConstraintMover Adds sequence-based constraints to penalize immunogenic epitopes, enforced by the mhc_epitope scoreterm.
AtomCoordinateCstMover Adds coordinate constraints for Relax
ClearConstraintsMover Removes all constraints (geometric and sequence) from the pose
ReleaseConstraintFromResidueMover The same as ClearConstraintsMover but only for selected residues
ClearCompositionConstraintsMover Removes sequence constraints from the pose selectively.
ConstraintSetMover Adds constraints to the pose using a constraints file
FavorSymmetricSequence Adds constraints to prefer symmetric sequences
ResidueTypeConstraintMover Constrains residue type
SetupMetalsMover Adds covalent bonds and distance/angle constraints to metal ions
TaskAwareCsts Adds constraints to residues designated by task_operations
AddConstraints Uses a constraint generator to add constraints to the pose
RemoveConstraints Removes a set of constraints generated by a constraint generator from the pose

Constraint Generators

Mover Description
AtomPairConstraintGenerator Generates distance constraints among residues in a subset
SegmentedAtomPairConstraintGenerator Generates differently specified distance constraints among residues in a range and between residues in different ranges.
CoordinateConstraintGenerator Generates coordinate constraints for residues in a subset
DistanceConstraintGenerator Generates constraints to enforce a distance between residues in two subsets.
FileConstraintGenerator Generates, adds, and removes constraints from a file
HydrogenBondConstraintGenerator Generates constraints to enforce hydrogen bonding between residues
SheetConstraintGenerator Generates constraints for proper hydrogen bonding in beta-sheets
TerminiConstraintGenerator Generates atom pair constraints between N- and C- termini

Docking/Assembly

Mover Description
BridgeChains Connects chains using fragment insertion Monte Carlo
DockingInitialPerturbation Carries out the initial perturbation phase of the RosettaDock algorithm
DockingProtocol Performs full docking protocol with current defaults
FlexPepDock Performs ab initio or refinement peptide docking

Fragment Insertion

Mover Description
SingleFragmentMover Performs a single fragment insertion

Idealize/Relax

Mover Description
Idealize Forces ideal bond lengths and angles
FastRelax Performs FastRelax all-atom refinement
FastDesign Performs FastRelax all-atom refinement, but adds design-related features
RepeatProteinRelax Performs FastRelax all-atom refinement on repeat proteins

Insertion and Deletion; Grafting

Mover Description
ReplaceRegionMover Replace a region of a pose with another of the same length.

Insertion

Mover Description
AddChain Adds a PDB file to an existing pose
AnchoredGraftMover Grafts a region of one pose into another using the same method used for The Anchored Design Protocol. Also used in the RabD Antibody Design Protocol.
CCDEndsGraftMover Grafts a region of one pose into another using superposition of insert ends and CCD arms to close the graft. Used in the RabD Antibody Design Protocol.
InsertPoseIntoPoseMover Inserts one pose into another. Does not do any structure optimization.
MergePDB Merges two poses along a common secondary structure element
MotifGraft Grafts a motif into pose(s)
Splice (developer release only) Various methods of splicing segments into the current pose

Deletion

Mover Description
CutOutDomain Uses a template to remove specified residues
DeleteRegionMover Delete a region/chain of a pose.
KeepRegionMover Keep a region of the current pose, delete the rest.
SwitchChainOrder Reorders (or removes) the chains in a pose

Kinematic Closure Movers

Mover Description
Generalized Kinematic Closure (GeneralizedKIC) Loop closure and conformational sampling, fully generalized for loops consisting of any arbitrary chain of atoms (canonical backbones, non-canonical backbones, disulfides and other side-chain linkages, artificial cross-linkers, etc.).

Packing/Minimization

Mover Description
ConsensusDesignMover Mutates residues to create a consensus of multiple sequences, while considering the scores of the residues
ExternalPackerResultLoader Given files defining a packing problem (as produced with the InteractionGraphSummaryMetric and a packing solution (as might be produced with an external optimizer or annealer), rebuilds the pose and threads the packing solution onto it.
ForceDisulfides Ensures that unrecognized disulfides are formed and bond geometry is correct
MinMover Minimizes sidechains and/or backbone
MinPackMover Packs and minimizes a side chain, calls Monte Carlo
PackRotamersMover Repacks sidechains
PackRotamersMoverPartGreedy Optimizes around target residues and repacks sidechains
PertMinMover Apply a random perturbation to atoms and then minimize.
RotamerTrialsMover Cycles through residues to find the lowest energy rotamer for each
RotamerTrialsMinMover Cycles through residues to find each lowest energy rotamer in the context of the current pose
Sidechain "off rotamer" sidechain-only moves
SidechainMC "off rotamer" sidechain-only Monte Carlo sampling
TaskAwareMinMover Minimizes sidechains and/or backbone with positions specified by TaskOperations

Parametric Backbone Generation

Mover Description
MakeBundle Uses the Crick equations to create a helix of helices or beta barrel, given user-specified parameter values.
BundleGridSampler Creates a helix of helices or beta barrel by sampling user-defined parameter ranges and choosing the set of parameter values yielding the lowest-energy structure.
PerturbBundle Takes a parametrically-generated helical bundle pose and alters the helical parameters slightly to perturb the bundle geometry. Good for making moves as part of a Monte Carlo search of parameter space.

Symmetry

See SymmetryAndRosettaScripts for details on using Symmetry with RosettaScripts.

See Symmetric Docking movers for protocols involving symmetry.

Mover Description
SetupForSymmetry Symmeterizes a pose based on a definition file
DetectSymmetry Symmeterizes a pose composed of symmetric chains
ExtractAsymmetricUnit Turn symmetric pose into a nonsymmetric pose (inverse of SetupForSymmetry)
ExtractSubpose (Developer release only) Extracts a subset of a symmetric pose without modifying the original
ExtractAsymmetricPose (similar to ExtractAsymmetricUnit) Turns symmetric pose into non symmetric pose
SymDofMover Sets up symmetric systems of aligned structures.
SymmetricCycpepAlign For the special case of cyclic peptides with internal quasi-symmetry, this aligns the peptide's symmetry axis to the Z-axis and prunes all but one symmetry repeat to create an input suitable for the SetupForSymmetry mover.
SymPackRotamersMover and SymRotamerTrialsMover Symmetric versions of PackRotamers and RotamerTrials
SymMinMover Symmetric version of MinMover
TaskAwareSymMinMover (developer release only) Similar to SymMinMover, but allows minimization of only certain residues
PeriodicBoxMover Mover that allows to run MC simulation in a periodic box, for instance liquid simulation.

Other Pose Manipulation

Mover Description
AlignChain Align the Calpha atoms of chains in two different poses
AlignByResidueSelectorMover Align the Calpha atoms of the selected residues in two different poses
AddChainBreak Add a break at a specific position
BluePrintBDR Make a centroid structure from a PDB file
CopyRotamer Copy a side-chain identity and/or conformation from one residue to another residue.
DeclareBond Tell Rosetta that there exists a chemical bond between two residues.
Disulfidize Finds potential disulfide bond positions based on Calpha - Cbeta distance
Dssp Calculates secondary structure using dssp
FavorNativeResidue Constrains the residue type by favoring the type present when applied
FavorSequenceProfile Constrains the residue type using one of several profiles
FlipChirality Mirrors a selection in pose
FoldTreeFromLoops Defines a fold tree based on the end points of a loop
HBNet Methods for designing explicit hydrogen bond networks
LoadPDB Replaces current PDB with another
LoopLengthChange Changes the length of a loop
LoopCreationMover (developer release only) Build loops to bridge gaps in a structure
MutateResidue Changes a residue to a different type
ModifyVariantType Adds or removes variant types of a set of residues
PeptideStubMover Add new residues to a pose
PeptideCyclizeMover Closes two ends of a selection in a pose
SegmentHybridize Closes loops using fragment insertion and cartesian minimization
Superimpose Superimpose the current pose on another stored pose
SetSecStructEnergies Biases the score toward particular secondary structural elements
SwitchChainOrder Reorders (or removes) the chains in a pose
TryDisulfPermutations Tries all possible permutations of disulfides for residue types that can form disulfides, and returns the lowest-energy permutation.
MakePolyX Converts a pose into a polymer of a single amino acid type
MembraneTopology Inserts membrane topology from a membrane span file into a pose
SaveSequenceToComments Saves the current pose sequence to pose comments
SwitchResidueTypeSetMover Toggles between centroid and full atom modes
SetTemperatureFactor Sets the temperature factor column in a PDB file
PSSM2Bfactor Sets the temperature factor column in a PDB file based on PSSM score
RemodelMover (including building disulfides) Loop building and refinement using Remodel
RepeatPropagationMover Propagates a repeat protein
ReplaceRegionMover Replace a region of a pose with another of the same length.
RigidBodyTransMover Translates a chain along an axis
RigidBodyPerturbNoCenter Make a small, random translational and rotational move to move two parts of a pose relative to one another.
RollMover Rotates pose a given angle over a given axis
SetupNCS Sets up non crystallographic symmetry between residues and forces residues to maintain conformation and type
StoreResidueSubset Creates a residue subset from a residue selector and stores it into the current pose under a given name.
StoreTask (Developer release only) Creates and stores a packer task in the current pose
StoreCompoundTaskMover (Developer release only) Constructs compound logical tasks and stores them in the current pose
VirtualRoot Create virtual residue and reroot pose foldtree on the new residue

Antibody Modeling and Design Movers

See Also: Antibody TaskOperations, Antibody Feature Reporters, Grafting Movers

Constraints

Mover Description
CDRDihedralConstraintMover Adds CDR Cluster or General dihedral constraints to specified CDRs of a renumbered antibody
ParatopeSiteConstraintMover Adds SiteConstraints between the Paratope and a given antigen to keep the paratope in contact with the antigen.
ParatopeEpitopeSiteConstraintMover Adds SiteConstraints between the Paratope and the Epitope to keep both in contact during any rigid-body modeling.

Modeling

Mover Description
AntibodyCDRGrafter Graft CDR loops from one structure to another, optionally optimize CDRs.

Design

Mover Description
AntibodyDesignMover Main mover for the design of Antibodies within the RosettaAntibodyDesign framework
AntibodyDesignProtocol Runs the AntibodyDesignMover, with a few extra options for further protocols to be run. Less configurable than the AntibodyDesignMover.

Carbohydrate-specific Movers

Mover Description
LinkageConformerMover Sample glycosidic bond torsions from statistically favorable conformations.
RingPlaneFlipMover Flip pyranose rings with opposite and equatorial linkages.
GlycanTreeRelax Model Glycans using a tree-based algorithm for denovo structure prediction or refinement.
GlycanRelaxMover Simple algorithm to sample glycan torsions using structural data and optimize structures via minimization and packing.
SimpleGlycosylateMover Glycosylate poses with glycan trees, such as man5 or man9 or other complex trees.

Computational 'affinity maturation' movers

Mover Description
GreedyOptMutationMover Introduces mutations, scores them, combines them and accepts the combinations based on score
RandomMutation Introduce a random mutation in a re-designable position

DNA Interface Design Movers

Mover Description
DnaInterfacePacker Minimizes sidechains and calculates binding energy

Crosslinker-centric movers

Mover Description
CrosslinkerMover Places, sets up constraints for, and energy-minimizes small-molecule crosslinkers. Compatible with symmetric crosslinkers in Nfold-symmetric poses. (Note: This mover was formerly called the ThreefoldLinkerMover).

Ligand-centric Movers

Ligand docking

These movers replace the executable for ligand docking and provide greater flexibility to the user in customizing the docking protocol. An example XML file for ligand docking can be found in the demos directory under Rosetta/demos/protocol_capture/2015/rosettaligand_transform/. The movers below are listed in the order they generally occur in a ligand docking protocol.

Mover Description
StartFrom Moves a ligand to user-specified coordinates
Transform Performs ligand docking moves using a Monte Carlo search and provided scoring grids
Translate Moves a small molecule in a random position within a specified sphere
Rotate Performs random rotations and keeps poses based on a filter
SlideTogether Ensures that rotated and translated ligands are close enough to the protein to complete high resolution docking
HighResDocker Uses rotamer trials, ligand perturbations, and repacking to complete docking
FinalMinimizer Performs gradient minimization of a docked pose
InterfaceScoreCalculator Calculates interface score by subtracting that of the separated partners from that of the complex
ComputeLigandRDF Computes radial distribution functions using protein-protein or protein-ligand atom pairs

Enzyme Design

Mover Description
EnzRepackMinimize Design/repack and minimization for enzyme design
AddOrRemoveMatchCsts Adds or removes pairwise geometric constraints for a pose
PredesignPerturbMover Perturbs a ligand in an active site, randomly rotates/translates, and accepts based on Boltzmann criteria

Ligand design

Mover Description
GrowLigand Connects a random fragment to a growing ligand
AddHydrogens Saturates incomplete connections

Loop Modeling Movers

See RosettaScriptsLoopModeling for an overview.

Mover Description
LoopModeler Performs a standard loop modeling simulation
LoopBuilder Builds backbone atoms for loops with missing residues
LoopProtocol Optimizes the backbone of a loop region via a Monte Carlo simulation
KicMover Generates backbone conformations using the kinematic closure algorithm
RepackingRefiner Refines the sidechains around a loop using the standard repacker
RotamerTrialsRefiner Refines the sidechains in and around a loop using rotamer trials
MinimizationRefiner Refines loop backbone and sidechains via gradient minimization
PrepareForCentroid Converts a pose to centroid mode
PrepareForFullatom Converts a pose to fullatom mode

Protein Interface Modeling, Design, and Analysis Movers

These movers are at least somewhat specific to the design of protein-protein interfaces. Attempting to use them with, for example, protein-DNA complexes may result in unexpected behavior.

Mover Description
PatchdockTransform Modifies the pose configuration using a Patchdock file
ProteinInterfaceMS Protein interface design where the bound state is compared to the unbound state and the unbound unfolded state
InterfaceAnalyzerMover Calculates metrics for evaluating protein interfaces
Docking Performs docking in centroid or fullatom mode
DockWithHotspotMover Performs docking in centroid mode with constraints
Prepack Minimizes and repacks protein complexes
RepackMinimize Design/repack and minimization for protein complexes
DesignMinimizeHBonds Similar to RepackResidues, but with a definable set of target residues
build_Ala_pose Turns interface residues to alanine in preparation for design steps
SaveAndRetrieveSidechains Saves the side chain data lost when switching residue types
AtomTree Connects residues on two different chains with an AtomTree
SpinMover Allows random spin around an axis defined by an atom tree
TryRotamers Produces a set of rotamers for a given residue or residues
BackrubDD Backrub-style backbone and sidechain sampling
BestHotspotCst Removes constraints from all but the best residues to avoid problems with minimization
DomainAssembly (Not tested thoroughly) Performs domain assembly sampling via fragment insertion
LoopFinder Finds loops in the current pose and saves them for later use
LoopRemodel Samples loop conformations through perturbation and refinement
LoopMoverFromCommandLine Uses various protocols to perturb and refine loops in a loop file
DisulfideMover Creates disulfide bonds among set of target residues in an interface
InterfaceRecapitulation Tests design movers for their ability to recover the native sequence
VLB (aka Variable Length Build) Improves complex structures through 'computational affinity' methods
HotspotDisjointedFoldTree Produces a disjointed foldtree for selected residue(s)
AddSidechainConstraintsToHotspots Adds constraints to sidechain atoms in preparation for affinity maturation
MSDMover Runs protein multistate design using the RECON protocol
FindConsensusSequence Finds a consensus sequence from candidates generated by RECON protocol. To be used with MSDMover.

Placement and Placement-associated Movers & Filters

See RosettaScriptsPlacement for more information.

Mover Description
Auction Auctions residues to hotspot sets
MapHotspot Maps potential hotspot residues
PlacementMinimization Performs rigid-body minimization
PlaceOnLoop Performs loop remodeling with kinematic loop closure and handles hotspot constraint application
PlaceStub Placement of sidechains using the hot-spot method of protein-binder design
PlaceSimultaneously Similar to PlaceStub, but places residues simultaneously rather than iteratively
RestrictRegion Allows for design of small sections of a pose without long range effects
StubScore Filters for hopeless configurations based on whether or not hotspot constraints are effective
ddG Calculates overall or per-residue ddG
ContactMap Produces contact maps for structure(s)

Protocol-Building Movers / Other

These movers help with building protocols or can be used in very specific circumstances.

Mover Description##SEWING movers
ConvertRealToVirtualMover Convert residues to virtual residues, which are not scored and not output in a PDB.
ConvertVirtualToRealMover Convert virtual residues back to real residues.

SEWING movers

These movers are used as part of the SEWING protocol and have protocol-specific input files and command-line options:

Refactored SEWING movers

These movers are part of the new SEWING framework coming soon to master. For the version of SEWING currently in the released version of Rosetta, please see the legacy SEWING movers.

Mover Description
AssemblyMover Builds an assembly of a user-specified size by MonteCarlo sampling of substructures.
AppendAssemblyMover Builds a protein by extending a user-specified starting structure. Often used for interface design (starting with a protein-binding peptide) or to incorporate specific motifs into designs. Documentation coming soon.
LigandBindingAssemblyMover Used to add new contacts to a specified ligand using the SEWING framework. Documentation coming soon.

Legacy SEWING movers

Mover Description
LegacyMonteCarloAssemblyMover Builds an assembly of a user-specified size by MonteCarlo sampling of substructures.
LegacyAppendAssemblyMover Builds a protein by extending a user-specified starting structure. Often used for interface design (starting with a protein-binding peptide) or to incorporate specific motifs into designs.
LegacyRepeatAssemblyMover Used to design repeat proteins.
LegacyEnumerateAssemblyMover Builds all possible structures from a given SewGraph.
LegacyAssemblyConstraintsMover Used to favor native residues during refinement in assemblies produced using SEWING.

Symmetric Docking movers

Mover Description
SymDockProtocol Symmetric oligomer docking -- like protein-protein docking, but between symmetric partners.
SymFoldandDockMoveRbJumpMover Reset the anchor residues for the subunit transforms
SymFoldandDockRbTrialMover Randomly perturb the subunit rigid body transform
SymFoldandDockSlideTrialMover Slide symmetric subunits together

See Also