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 are defined internally in the parser, and the protocol can use them without defining them explicitly.
NullMover - Does nothing.
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. |
| 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. |
| 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. |
| 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. |
| SaveProbabilitiesMetricMover | Save a PerResidueProbabilitiesMetric as weights or pssm file. |
| 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. |
| Mover | Description |
|---|---|
| SetupPoissonBoltzmannPotential | Runtime environment initialization for the PB solver (ddG mover) |
| SetupForDensityScoringMover | Set up the pose for using Electron Density Scoring |
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. |
These are movers that should be usable in most cases with most systems
| Mover | Description |
|---|---|
| ScoreMover | Scores the pose |
| LoopAnalyzerMover | Computes protein loop-specific metrics |
| InterfaceAnalyzerMover | Computes protein-protein interface metrics |
| RunSimpleMetrics | Mover to run a set of SimpleMetrics, which enables robust analysis in Rosetta. |
| Mover | Description |
|---|---|
| trRosettaProtocolMover | Uses the trRosetta neural network to predict protein structure. Note special compilation requirements! |
| Mover | Description |
|---|---|
| PackRotamersMover | Repacks sidechains, designing using a resfile or set TaskOperations-RosettaScripts |
| FixBB | Sequence design on a fixed backbone |
| FlexibleBBdesign | Sequence design with backbone minimization |
| FastDesign | Performs FastRelax all-atom refinement, but adds design-related features |
| SimpleThreadingMover | Thread sequences onto structures. Nothing fancy here. |
| Mover | Description |
|---|---|
| CreateSequenceMotifMover | Create a Sequence Motif using motif syntax and a residue selector. For example, N[^P][S/T], which would design N, anything not proline, and then Serine or Threonine. |
| CreateGlycanSequonMover | Create a glycan-specific sequence motif called a sequon, into a protein at specified residues. |
| Mover | Description |
|---|---|
| Backrub | Makes local rotations around two backbone atoms |
| BackboneGridSampler | Generates a residue chain and samples torsion angles |
| CartesianMD | Brings concerted motion to backbone using Cartesian-space molecular dynamics |
| ConfChangeMover | Brings concerted motion to backbone using Markov Chain Monte Carlo (2022) |
| CrankshaftFlip | Perform crankshaft flip moves, an inversion of a phi dihedral with the following omega flipping between cis/trans |
| InitializeByBins | Randomizes stretches of backbone based on torsion bins |
| NormalModeRelax | Brings concerted motion to backbones using Anisotropic Network Model (ANM) |
| PerturbByBins | Perturbs stretches of backbone based on torsion bins |
| RandomizeBBByRamaPrePro | Randomize the backbone of a given residue biased by its Ramachandran map |
| 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) |
| Mover | Description |
|---|---|
| HybridizeMover | Use single or multiple templates to generate a combined model. Part of RosettaCM. |
| SimpleThreadingMover | Thread sequences onto structures. Nothing fancy here. |
| 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. |
| AddResidueCouplingConstraint | Adds co-evolutionary constraints to favor more natural sequences and to retain function during design |
| 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 |
| RemoveMetalConnectionsMover | Removes covalent bonds to metal ions that were added with the SetupMetalsMover or -auto_setup_metals |
| 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 |
| 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. |
| DihedralConstraintGenerator | Generates constraints to enforce a dihedral angle. |
| 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 |
| trRosettaConstraintGenerator | Generates inter-residue distance and orientation constraints given a multiple sequence alignment, using the trRosetta neural network. Note special compilation requirements. |
| 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 |
| GridDock | Performs six degree of freedom grid docking |
| Mover | Description |
|---|---|
| SingleFragmentMover | Performs a single fragment insertion |
| 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 |
| 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 |
| Mover | Description |
|---|---|
| CutOutDomain | Uses a template to remove specified residues |
| DeleteRegionMover | Delete a region/chain of a pose. |
| DeleteChainsMover | Delete specific chains of a pose. |
| KeepRegionMover | Keep a region of the current pose, delete the rest. |
| SwitchChainOrder | Reorders (or removes) the chains in a pose |
| Mover | Description |
|---|---|
| ReplaceRegionMover | Replace a region of a pose with another of the same length. |
| *InsertPoseIntoPoseMover * | Insert one pose into another. Does not do any optimization |
| *CCDEndsGraftMover * | Graft a region of one pose into another, using CCD at each end to optimize the graft. |
| *AnchoredGraftMover * | Graft a region of one pose into another, using the AchoredDesign graft algorithm |
| *AntibodyCDRGrafter * | Graft a CDR from one pose/file into another, using optimized graft algorithms. This is the grafting class used by both RosettaAntibody and RosettaAntibodyDesign |
| 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.). |
| 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 |
| 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. |
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 |
| SetupForSequenceSymmetryMover | Allows you to define symmetric chains for complicated systems before using the KeepSequenceSymmetry task operation |
| 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 |
| 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. |
| Mover | Description |
|---|---|
| PoseFromSequenceMover | Create a pose from a sequence or multiple chains from sequences. |
| 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. |
| CycpepRigidBodyPermutationMover | Alter the position and orientation of a cyclic peptide so that it is superimposed on a permuted or inverse-permuted copy of itself. |
| 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 |
| EnsureExclusivelySharedJumpMover | Change the fold tree to guarantee there is a jump that builds the selected residues and only the selected residues |
| 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 |
| SampleSequenceFromProbabilities | Sample a whole sequence or a specified amount of mutations from a PerResidueProbabilitiesMetric. |
| 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 |
See Also: Antibody TaskOperations, Antibody Feature Reporters, Grafting Movers
| 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. |
| Mover | Description |
|---|---|
| AntibodyCDRGrafter | Graft CDR loops from one structure to another, optionally optimize CDRs. |
| 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. |
| Mover | Description |
|---|---|
| LinkageConformerMover | Sample glycosidic bond torsions from statistically favorable conformations. |
| RingPlaneFlipMover | Flip pyranose rings with opposite and equatorial linkages. |
| TautomerizeAnomerMover | Replace reducing-end sugar with its anomer. |
| GlycanTreeModeler | Model Glycans using a tree-based algorithm for denovo structure prediction or refinement. |
| GlycanSampler | 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. |
| GlycosyltransferaseMover | Simulates the activity of specific biological glycosyltransferases and oligosaccharyltrasferases by glycosylating a Pose. |
| 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 |
| Mover | Description |
|---|---|
| DnaInterfacePacker | Minimizes sidechains and calculates binding energy |
| 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). |
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 |
| GALigandDock | Uses the beta general potential to perform flexible docking of a small-molecule ligand with precomputed scoring grids |
| 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 |
| Mover | Description |
|---|---|
| GrowLigand | Connects a random fragment to a growing ligand |
| AddHydrogens | Saturates incomplete connections |
See RosettaScriptsLoopModeling for an overview.
| Mover | Description |
|---|---|
| RemodelMover | Remodel and rebuild a protein chain |
| LoopRemodelMover | Perturbs and/or refines a set of user-defined loops. Useful to sample a variety of loop conformations. |
| ConnectChainsMover | Best for helix-helix loops? |
| LoopHashLoopClosureMover | |
| LoopHash | |
| LoopCreationMover | not available in released versions |
| LoopModeler | Performs a standard loop modeling simulation (KIC or LoopHash) |
| LoopBuilder | Builds backbone atoms for loops with missing residues |
| LoopProtocol | Optimizes the backbone of a loop region via a Monte Carlo simulation |
| CCDLoopClosureMover | Performs loops closure using the CCD algorithm. |
| 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 |
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. |
| SetupHotspotConstraints | Apply hotspot constraints to a pose. |
| Sequence profile Constraints | Apply sequence profile constraints to a pose. |
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) |
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. |
These movers are used as part of the SEWING protocol and have protocol-specific input files and command-line options:
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. |
| 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. |
| 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 |
These Movers share a common interface and simulate the activity of enzymes on a Pose, such as virtual post-translational modifications.
| Mover | Description |
|---|---|
| DNAMethyltransferaseMover | Simulates the activity of specific biological DNA methyltransferases by methylating a DNA-containing Pose. |
| GlycosyltransferaseMover | Simulates the activity of specific biological glycosyltransferases and oligosaccharyltrasferases by glycosylating a Pose. |
| KinaseMover | Simulates the activity of specific biological kinases by phosphorylating a Pose. |
| NTerminalAcetyltransferaseMover | Simulates the activity of specific biological N-terminal acetyltransferases by acetylating a Pose at its N-terminus. |