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APBSConfig ------------------------------------------------------------------------------------- APBSConfig |
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| APBSConfigAP | |||
| APBSConfigCAP | |||
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APBSResult ------------------------------------------------------------------------------------- APBSResult |
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| APBSResultAP | |||
| APBSResultCAP | |||
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APBSWrapper ------------------------------------------------------------------------------------- APBS wrapper |
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| APBSWrapperAP | |||
| APBSWrapperCAP | |||
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AtomNeighbor an atom-atom neighborlist object The neighborlist is used during minimization to speed atom-atom energy calculations. |
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| AtomNeighborAP | |||
| AtomNeighborCAP | |||
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AtomVDW core/scoring/AtomVDW.hh:38 |
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| AtomVDWAP | |||
| AtomVDWCAP | |||
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BB_Pos /////////////////////////////////////////////////////////////////////////////////////////////////// |
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| BB_PosAP | |||
| BB_PosCAP | |||
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CSA ////////////////////////////////////////////// ////////////////////////////////////////////// |
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| CSAAP | |||
| CSACAP | |||
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CenHBPotential ///////////////////// |
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| CenHBPotentialAP | |||
| CenHBPotentialCAP | |||
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CenListInfo ///////////////////////////////////////////////////////////////////////////////////////////////// Keep track of the cenlist information |
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| CenListInfoAP | |||
| CenListInfoCAP | |||
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CenRotEnvPairPotential core/scoring/CenRotEnvPairPotential.hh:38 |
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| CenRotEnvPairPotentialAP | |||
| CenRotEnvPairPotentialCAP | |||
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ChemicalShiftAnisotropy ChemicalShiftAnisotropys are mainly handled by this class |
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| ChemicalShiftAnisotropyAP | |||
| ChemicalShiftAnisotropyCAP | |||
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ContextGraph core/scoring/ContextGraph.hh:31 |
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| ContextGraphAP | |||
| ContextGraphCAP | |||
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ContextGraphFactory core/scoring/ContextGraphFactory.hh:28 |
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| ContextGraphFactoryAP | |||
| ContextGraphFactoryCAP | |||
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ContextGraphType core/scoring/ContextGraphTypes.hh:20 |
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DC ////////////////////////////////////////////// ////////////////////////////////////////////// |
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| DCAP | |||
| DCCAP | |||
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DenseEnergyContainer //////////////////////////////////////////////////////////////////////// |
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| DenseEnergyContainerAP | |||
| DenseEnergyContainerCAP | |||
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DenseNeighborConstIterator //////////////////////////////////////////////////// |
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| DenseNeighborConstIteratorAP | |||
| DenseNeighborConstIteratorCAP | |||
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DenseNeighborIterator //////////////////////////////////////////////////// |
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| DenseNeighborIteratorAP | |||
| DenseNeighborIteratorCAP | |||
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DerivVectorPair A glorified struct for holding f1/f2 vectors used to represent the derivatives in our internal-geometry based minimization algorithms. |
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| DerivVectorPairAP | |||
| DerivVectorPairCAP | |||
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DipolarCoupling DipolarCouplings are mainly handled by this class |
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| DipolarCouplingAP | |||
| DipolarCouplingCAP | |||
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DockingScoreFunction core/scoring/DockingScoreFunction.hh:35 |
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| DockingScoreFunctionAP | |||
| DockingScoreFunctionCAP | |||
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EMapVector A vector for storing energy data, initially all values are 0... |
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| EMapVectorAP | |||
| EMapVectorCAP | |||
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Energies A cached energies object Stores total, residue, and residue-pair energies, as well as residue neighbor information. |
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| EnergiesAP | |||
| EnergiesCAP | |||
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EnergyEdge Class EnergyEdge holds scores for pair interactions for short-ranged energy functions. |
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| EnergyEdgeAP | |||
| EnergyEdgeCAP | |||
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EnergyGraph Class to hold the component energies between pairs of residues. |
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| EnergyGraphAP | |||
| EnergyGraphCAP | |||
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EnergyNode Class EnergyNode holds the result of a domainmap update from the Conformation object held by a pose; if the internal degrees of freedom for a residue (corresponding to a node in this graph) have changed (and are marked with color "0" in the domainmap), then the EnergyNode object will hold that information for the ScoringFunction to retrieve |
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| EnergyNodeAP | |||
| EnergyNodeCAP | |||
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EnvPairPotential core/scoring/EnvPairPotential.hh:145 |
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| EnvPairPotentialAP | |||
| EnvPairPotentialCAP | |||
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ExcludedResPredicate core/scoring/rms_util.hh:271 |
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| ExcludedResPredicateAP | |||
| ExcludedResPredicateCAP | |||
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GenBornPoseInfo ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// |
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| GenBornPoseInfoAP | |||
| GenBornPoseInfoCAP | |||
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GenBornPotential ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// |
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| GenBornPotentialAP | |||
| GenBornPotentialCAP | |||
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GenBornResidueInfo ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// |
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| GenBornResidueInfoAP | |||
| GenBornResidueInfoCAP | |||
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GenBornRotamerSetInfo ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// |
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| GenBornRotamerSetInfoAP | |||
| GenBornRotamerSetInfoCAP | |||
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Hairpin /////////////////////////////////////////////////////////////////////////////////////////////////// |
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| HairpinAP | |||
| HairpinCAP | |||
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Hairpins core/scoring/SS_Killhairpins_Info.hh:72 |
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| HairpinsAP | |||
| HairpinsCAP | |||
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Helices /////////////////////////////////////////////////////////////////////////////////////////////////// |
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| HelicesAP | |||
| HelicesCAP | |||
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IsProteinCAPredicate core/scoring/rms_util.hh:226 |
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| IsProteinCAPredicateAP | |||
| IsProteinCAPredicateCAP | |||
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LREnergyContainer core/scoring/LREnergyContainer.hh:80 |
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| LREnergyContainerAP | |||
| LREnergyContainerCAP | |||
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MembraneEmbed /////////////////////////////// Membrane Embedding /////////////////////////////////// Whole Pose Membrane Embedding Define the embedding of the membrane pose based on computed normal and center parameters. |
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| MembraneEmbedAP | |||
| MembraneEmbedCAP | |||
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MembranePotential /////////////////////////////// Membrane Potential //////////////////////////////////// Rosetta Membrane Low Resolution Scoring Methods Compute scoring terms part of the Membrane Low resolution energy function. |
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| MembranePotentialAP | |||
| MembranePotentialCAP | |||
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MembraneTopology core/scoring/MembraneTopology.hh:41 |
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| MembraneTopologyAP | |||
| MembraneTopologyCAP | |||
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Membrane_FAEmbed /////////////////////////////// Membrane Fullatom Embedding ///////////////////////////////////... |
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| Membrane_FAEmbedAP | |||
| Membrane_FAEmbedCAP | |||
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Membrane_FAPotential Mmebrane Fullatom Potential - Scoring Class... |
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| Membrane_FAPotentialAP | |||
| Membrane_FAPotentialCAP | |||
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MinScoreScoreFunction core/scoring/MinScoreScoreFunction.hh:36 |
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| MinScoreScoreFunctionAP | |||
| MinScoreScoreFunctionCAP | |||
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MinimizationEdge Class MinimizationEdge holds ResPairMinimizationData for a certain pair of interacting residues; this data might be a neighborlist for this residue pair, for example. |
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| MinimizationEdgeAP | |||
| MinimizationEdgeCAP | |||
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MinimizationGraph Class to hold all the minimization-specific data that's required to efficiently evaluate the score function and its derivatives on a structure of fixed sequence and chemical identity. |
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| MinimizationGraphAP | |||
| MinimizationGraphCAP | |||
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MinimizationNode Class MinimizationNode holds the ResSingleMinimizationData information for a single residue in a Pose which is being minimized. |
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| MinimizationNodeAP | |||
| MinimizationNodeCAP | |||
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NeighborList //////////////////////////////////////////////////////////////////////////// |
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| NeighborListAP | |||
| NeighborListCAP | |||
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OmegaTether core/scoring/OmegaTether.hh:41 |
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| OmegaTetherAP | |||
| OmegaTetherCAP | |||
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OneToAllEnergyContainer //////////////////////////////////////////////////////////////////////// |
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| OneToAllEnergyContainerAP | |||
| OneToAllEnergyContainerCAP | |||
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OneToAllNeighborConstIterator //////////////////////////////////////////////////// |
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| OneToAllNeighborConstIteratorAP | |||
| OneToAllNeighborConstIteratorCAP | |||
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OneToAllNeighborIterator //////////////////////////////////////////////////// |
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| OneToAllNeighborIteratorAP | |||
| OneToAllNeighborIteratorCAP | |||
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PQR ------------------------------------------------------------------------------------- PQR |
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| PQRAP | |||
| PQRCAP | |||
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P_AA core/scoring/P_AA.hh:41 |
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| P_AAAP | |||
| P_AACAP | |||
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PairEPotential core/scoring/PairEPotential.hh:31 |
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| PairEPotentialAP | |||
| PairEPotentialCAP | |||
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PeptideBondedEnergyContainer //////////////////////////////////////////////////////////////////////// |
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| PeptideBondedEnergyContainerAP | |||
| PeptideBondedEnergyContainerCAP | |||
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PeptideBondedNeighborConstIterator //////////////////////////////////////////////////// |
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| PeptideBondedNeighborConstIteratorAP | |||
| PeptideBondedNeighborConstIteratorCAP | |||
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PeptideBondedNeighborIterator //////////////////////////////////////////////////// |
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| PeptideBondedNeighborIteratorAP | |||
| PeptideBondedNeighborIteratorCAP | |||
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PoissonBoltzmannPotential core/scoring/PoissonBoltzmannPotential.hh:38 |
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| PoissonBoltzmannPotentialAP | |||
| PoissonBoltzmannPotentialCAP | |||
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Predicate ////////////////////////////////////////// |
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| PredicateAP | |||
| PredicateCAP | |||
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ProQPotential core/scoring/ProQPotential.hh:45 |
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| ProQPotentialAP | |||
| ProQPotentialCAP | |||
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ProteinTorsion core/scoring/ProteinTorsion.hh:21 |
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RDC ////////////////////////////////////////////// ////////////////////////////////////////////// |
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| RDCAP | |||
| RDCCAP | |||
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RDC_Rohl ////////////////////////////////////////////// ////////////////////////////////////////////// |
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| RDC_RohlAP | |||
| RDC_RohlCAP | |||
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Rama2BOffset core/scoring/Rama2BOffset.hh:66 |
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| Rama2BOffsetAP | |||
| Rama2BOffsetCAP | |||
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Rama2BOffsetTables core/scoring/Rama2BOffset.hh:43 |
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Ramachandran core/scoring/Ramachandran.hh:49 |
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Ramachandran2B core/scoring/Ramachandran2B.hh:50 |
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| Ramachandran2BAP | |||
| Ramachandran2BCAP | |||
| RamachandranAP | |||
| RamachandranCAP | |||
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ResPairMinimizationData core/scoring/MinimizationData.hh:85 |
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| ResPairMinimizationDataAP | |||
| ResPairMinimizationDataCAP | |||
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ResRangePredicate /////////////////// |
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| ResRangePredicateAP | |||
| ResRangePredicateCAP | |||
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ResSingleMinimizationData core/scoring/MinimizationData.hh:59 |
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| ResSingleMinimizationDataAP | |||
| ResSingleMinimizationDataCAP | |||
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ResidualDipolarCoupling ResidualDipolarCouplings are mainly handled by this class |
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| ResidualDipolarCouplingAP | |||
| ResidualDipolarCouplingCAP | |||
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ResidualDipolarCoupling_Rohl core/scoring/ResidualDipolarCoupling_Rohl.hh:34 |
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| ResidualDipolarCoupling_RohlAP | |||
| ResidualDipolarCoupling_RohlCAP | |||
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ResidueNblistData core/scoring/ResidueNeighborList.hh:260 |
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| ResidueNblistDataAP | |||
| ResidueNblistDataCAP | |||
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ResidueNeighborConstIterator core/scoring/LREnergyContainer.hh:57 |
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| ResidueNeighborConstIteratorAP | |||
| ResidueNeighborConstIteratorCAP | |||
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ResidueNeighborIterator core/scoring/LREnergyContainer.hh:30 |
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| ResidueNeighborIteratorAP | |||
| ResidueNeighborIteratorCAP | |||
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ResiduePairNeighborList core/scoring/ResidueNeighborList.hh:292 |
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| ResiduePairNeighborListAP | |||
| ResiduePairNeighborListCAP | |||
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SS_Info /////////////////////////////////////////////////////////////////////////////////////////////////// |
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| SS_InfoAP | |||
| SS_InfoCAP | |||
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SS_Killhairpins_Info /////////////////////////////////////////////////////////////////////////////////////////////////// |
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| SS_Killhairpins_InfoAP | |||
| SS_Killhairpins_InfoCAP | |||
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ScoreFunction This object defines a ScoreFunction, it contains methods for calculating the various scoring components (called ScoreType's) used in Rosetta. |
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| ScoreFunctionAP | |||
| ScoreFunctionCAP | |||
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ScoreFunctionFactory a collection of functions making a single score_function |
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| ScoreFunctionFactoryAP | |||
| ScoreFunctionFactoryCAP | |||
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ScoreFunctionInfo Info on the scorefunction settings This object is handed to the pose's Energies object and stored along with the cached energies. |
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| ScoreFunctionInfoAP | |||
| ScoreFunctionInfoCAP | |||
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ScoreType ////////////////////////////////////////////////////////////////////////////// //// WARNING WARNING WARNING //// //// if you add a new ScoreType please also add its string name in ScoreTypeManager.cc //// //// WARNING WARNING WARNING ////////////////////////////////////////////////////////////////////////////// Type for looking up cached energies @remark I guess we could get rid of the fa_ prefix, except maybe for fa_pair, to distinguish from std::pair and the centroid pair score... |
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ScoreTypeManager core/scoring/ScoreTypeManager.hh:31 |
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| ScoreTypeManagerAP | |||
| ScoreTypeManagerCAP | |||
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ScoringManager core/scoring/ScoringManager.hh:107 |
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| ScoringManagerAP | |||
| ScoringManagerCAP | |||
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SecondaryStructurePotential secondary structure scoring cut from classic rosetta structure.h/structure.cc |
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| SecondaryStructurePotentialAP | |||
| SecondaryStructurePotentialCAP | |||
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SecondaryStructureWeights Holds weights and flags for configuring a SecondaryStructureEnergy evaluation |
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| SecondaryStructureWeightsAP | |||
| SecondaryStructureWeightsCAP | |||
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SelectedResPredicate core/scoring/rms_util.hh:257 |
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| SelectedResPredicateAP | |||
| SelectedResPredicateCAP | |||
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SingletonBase_T_core_chemical_ChemicalManager_T SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way. |
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| SingletonBase_T_core_chemical_ChemicalManager_TAP | |||
| SingletonBase_T_core_chemical_ChemicalManager_TCAP | |||
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SingletonBase_T_core_scoring_ScoringManager_T SingletonBase is meant to serve as a base class for singleton classes in Rosetta handling the initialization of the singleton in a thread-safe way. |
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| SingletonBase_T_core_scoring_ScoringManager_TAP | |||
| SingletonBase_T_core_scoring_ScoringManager_TCAP | |||
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SmallAtNb core/scoring/ResidueNeighborList.hh:40 |
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| SmallAtNbAP | |||
| SmallAtNbCAP | |||
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SmoothEnvPairPotential ///////////////////// ///////////////////// |
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| SmoothEnvPairPotentialAP | |||
| SmoothEnvPairPotentialCAP | |||
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SmoothScoreTermCoeffs //////////////////////////////////////////////////////////////////////////////////////////// ///////////////////// |
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| SmoothScoreTermCoeffsAP | |||
| SmoothScoreTermCoeffsCAP | |||
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Strands /////////////////////////////////////////////////////////////////////////////////////////////////// |
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| StrandsAP | |||
| StrandsCAP | |||
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TMscore core/scoring/TMscore.hh:143 |
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| TMscoreAP | |||
| TMscoreCAP | |||
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TMscoreStore ///////// |
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| TMscoreStoreAP | |||
| TMscoreStoreCAP | |||
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TenANeighborEdge core/scoring/TenANeighborGraph.hh:91 |
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| TenANeighborEdgeAP | |||
| TenANeighborEdgeCAP | |||
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TenANeighborGraph core/scoring/TenANeighborGraph.hh:122 |
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| TenANeighborGraphAP | |||
| TenANeighborGraphCAP | |||
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TenANeighborNode core/scoring/TenANeighborGraph.hh:35 |
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| TenANeighborNodeAP | |||
| TenANeighborNodeCAP | |||
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TwelveANeighborEdge core/scoring/TwelveANeighborGraph.hh:51 |
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| TwelveANeighborEdgeAP | |||
| TwelveANeighborEdgeCAP | |||
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TwelveANeighborGraph core/scoring/TwelveANeighborGraph.hh:69 |
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| TwelveANeighborGraphAP | |||
| TwelveANeighborGraphCAP | |||
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TwelveANeighborNode core/scoring/TwelveANeighborGraph.hh:34 |
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| TwelveANeighborNodeAP | |||
| TwelveANeighborNodeCAP | |||
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UnfoldedStatePotential @remarks making this a separate class because it relies on a database file. |
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| UnfoldedStatePotentialAP | |||
| UnfoldedStatePotentialCAP | |||
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WaterAdductHBondPotential ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////////////////////////// |
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| WaterAdductHBondPotentialAP | |||
| WaterAdductHBondPotentialCAP | |||
| __CPP_CenListInfo__ | |||
| __CPP_ChemicalShiftAnisotropy__ | |||
| __CPP_DenseEnergyContainer__ | |||
| __CPP_DenseNeighborConstIterator__ | |||
| __CPP_DenseNeighborIterator__ | |||
| __CPP_DipolarCoupling__ | |||
| __CPP_DockingScoreFunction__ | |||
| __CPP_Energies__ | |||
| __CPP_EnergyEdge__ | |||
| __CPP_EnergyGraph__ | |||
| __CPP_EnergyNode__ | |||
| __CPP_ExcludedResPredicate__ | |||
| __CPP_GenBornPoseInfo__ | |||
| __CPP_GenBornRotamerSetInfo__ | |||
| __CPP_IsProteinCAPredicate__ | |||
| __CPP_LREnergyContainer__ | |||
| __CPP_MembraneEmbed__ | |||
| __CPP_MembranePotential__ | |||
| __CPP_MembraneTopology__ | |||
| __CPP_Membrane_FAEmbed__ | |||
| __CPP_Membrane_FAPotential__ | |||
| __CPP_MinScoreScoreFunction__ | |||
| __CPP_MinimizationEdge__ | |||
| __CPP_MinimizationGraph__ | |||
| __CPP_MinimizationNode__ | |||
| __CPP_OneToAllEnergyContainer__ | |||
| __CPP_OneToAllNeighborConstIterator__ | |||
| __CPP_OneToAllNeighborIterator__ | |||
| __CPP_PeptideBondedEnergyContainer__ | |||
| __CPP_PeptideBondedNeighborConstIterator__ | |||
| __CPP_PeptideBondedNeighborIterator__ | |||
| __CPP_Predicate__ | |||
| __CPP_ResRangePredicate__ | |||
| __CPP_ResidualDipolarCoupling_Rohl__ | |||
| __CPP_ResidualDipolarCoupling__ | |||
| __CPP_ResidueNblistData__ | |||
| __CPP_ResiduePairNeighborList__ | |||
| __CPP_SS_Info__ | |||
| __CPP_SS_Killhairpins_Info__ | |||
| __CPP_ScoreFunction__ | |||
| __CPP_SelectedResPredicate__ | |||
| __CPP_TenANeighborEdge__ | |||
| __CPP_TenANeighborNode__ | |||
| __CPP_TwelveANeighborEdge__ | |||
| __CPP_TwelveANeighborNode__ | |||
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min_pair_data core/scoring/MinimizationData.hh:43 |
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min_single_data core/scoring/MinimizationData.hh:34 |
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CHI1 = rosetta.core.scoring._core_scoring_.ProteinTorsion.CHI1
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CHI2 = rosetta.core.scoring._core_scoring_.ProteinTorsion.CHI2
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CHI3 = rosetta.core.scoring._core_scoring_.ProteinTorsion.CHI3
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CHI4 = rosetta.core.scoring._core_scoring_.ProteinTorsion.CHI4
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CIS_XP = rosetta.core.scoring._core_scoring_.Rama2BOffsetTable
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CIS_XX = rosetta.core.scoring._core_scoring_.Rama2BOffsetTable
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DFIRE = rosetta.core.scoring._core_scoring_.ScoreType.DFIRE
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FaMPEnv = rosetta.core.scoring._core_scoring_.ScoreType.FaMPEnv
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FaMPEnvSmooth = rosetta.core.scoring._core_scoring_.ScoreType.
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FaMPSolv = rosetta.core.scoring._core_scoring_.ScoreType.FaMPSolv
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Hpol_bond_geometry = rosetta.core.scoring._core_scoring_.Score
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MPCbeta = rosetta.core.scoring._core_scoring_.ScoreType.MPCbeta
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MPEnv = rosetta.core.scoring._core_scoring_.ScoreType.MPEnv
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MPLipo = rosetta.core.scoring._core_scoring_.ScoreType.MPLipo
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MPNonHelix = rosetta.core.scoring._core_scoring_.ScoreType.MPN
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MPPair = rosetta.core.scoring._core_scoring_.ScoreType.MPPair
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MPTMProj = rosetta.core.scoring._core_scoring_.ScoreType.MPTMProj
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MPTermini = rosetta.core.scoring._core_scoring_.ScoreType.MPTe
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Mcbeta = rosetta.core.scoring._core_scoring_.ScoreType.Mcbeta
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Menv = rosetta.core.scoring._core_scoring_.ScoreType.Menv
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Menv_non_helix = rosetta.core.scoring._core_scoring_.ScoreType
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Menv_smooth = rosetta.core.scoring._core_scoring_.ScoreType.Me
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Menv_termini = rosetta.core.scoring._core_scoring_.ScoreType.M
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Menv_tm_proj = rosetta.core.scoring._core_scoring_.ScoreType.M
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Mlipo = rosetta.core.scoring._core_scoring_.ScoreType.Mlipo
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Mpair = rosetta.core.scoring._core_scoring_.ScoreType.Mpair
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NRAMATABLES = rosetta.core.scoring._core_scoring_.Rama2BOffset
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OMEGA = rosetta.core.scoring._core_scoring_.ProteinTorsion.OMEGA
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PB_elec = rosetta.core.scoring._core_scoring_.ScoreType.PB_elec
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PHI = rosetta.core.scoring._core_scoring_.ProteinTorsion.PHI
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PSI = rosetta.core.scoring._core_scoring_.ProteinTorsion.PSI
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ProQ = rosetta.core.scoring._core_scoring_.ScoreType.ProQ
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ProQM = rosetta.core.scoring._core_scoring_.ScoreType.ProQM
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PyRosettaEnergy_first = rosetta.core.scoring._core_scoring_.Sc
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PyRosettaEnergy_last = rosetta.core.scoring._core_scoring_.Sco
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PyRosettaTwoBodyContextDependentEnergy_first = rosetta.core.sc
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PyRosettaTwoBodyContextDependentEnergy_last = rosetta.core.sco
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PyRosettaTwoBodyContextIndepenedentEnergy_first = rosetta.core
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PyRosettaTwoBodyContextIndepenedentEnergy_last = rosetta.core.
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TRANS_GG = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
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TRANS_GP = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
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TRANS_GV = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
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TRANS_GX = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_PG = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_PP = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_PV = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_PX = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_VG = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_VP = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_VV = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_VX = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_XG = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_XP = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_XV = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
TRANS_XX = rosetta.core.scoring._core_scoring_.Rama2BOffsetTab
|
|||
__package__ = None
|
|||
aa_cmp = rosetta.core.scoring._core_scoring_.ScoreType.aa_cmp
|
|||
abego = rosetta.core.scoring._core_scoring_.ScoreType.abego
|
|||
angle_constraint = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
atom_pair_constraint = rosetta.core.scoring._core_scoring_.Sco
|
|||
backbone_stub_constraint = rosetta.core.scoring._core_scoring_
|
|||
backbone_stub_linear_constraint = rosetta.core.scoring._core_s
|
|||
big_bin_constraint = rosetta.core.scoring._core_scoring_.Score
|
|||
bond_geometry = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
burial = rosetta.core.scoring._core_scoring_.ScoreType.burial
|
|||
cart_bonded = rosetta.core.scoring._core_scoring_.ScoreType.ca
|
|||
cart_bonded_angle = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
cart_bonded_length = rosetta.core.scoring._core_scoring_.Score
|
|||
cart_bonded_torsion = rosetta.core.scoring._core_scoring_.Scor
|
|||
cbeta = rosetta.core.scoring._core_scoring_.ScoreType.cbeta
|
|||
cbeta_smooth = rosetta.core.scoring._core_scoring_.ScoreType.c
|
|||
cen_env_smooth = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
cen_hb = rosetta.core.scoring._core_scoring_.ScoreType.cen_hb
|
|||
cen_pair_smooth = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
cen_rot_cbeta = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
cen_rot_dun = rosetta.core.scoring._core_scoring_.ScoreType.ce
|
|||
cen_rot_env = rosetta.core.scoring._core_scoring_.ScoreType.ce
|
|||
cen_rot_pair = rosetta.core.scoring._core_scoring_.ScoreType.c
|
|||
cen_rot_pair_ang = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
cen_rot_pair_dih = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
cenpack = rosetta.core.scoring._core_scoring_.ScoreType.cenpack
|
|||
cenpack_smooth = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
centroid_neighbor_graph = rosetta.core.scoring._core_scoring_.
|
|||
ch_bond = rosetta.core.scoring._core_scoring_.ScoreType.ch_bond
|
|||
ch_bond_bb_bb = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
ch_bond_bb_sc = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
ch_bond_sc_sc = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
chainbreak = rosetta.core.scoring._core_scoring_.ScoreType.cha
|
|||
co = rosetta.core.scoring._core_scoring_.ScoreType.co
|
|||
coarse_beadlj = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
coarse_fa_atr = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
coarse_fa_rep = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
coarse_fa_sol = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
constant_constraint = rosetta.core.scoring._core_scoring_.Scor
|
|||
coordinate_constraint = rosetta.core.scoring._core_scoring_.Sc
|
|||
csa = rosetta.core.scoring._core_scoring_.ScoreType.csa
|
|||
cst_res_data = rosetta.core.scoring._core_scoring_.min_single_
|
|||
cst_respair_data = rosetta.core.scoring._core_scoring_.min_pai
|
|||
custom_atom_pair = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
d2h_sa = rosetta.core.scoring._core_scoring_.ScoreType.d2h_sa
|
|||
dab_sasa = rosetta.core.scoring._core_scoring_.ScoreType.dab_sasa
|
|||
dab_sev = rosetta.core.scoring._core_scoring_.ScoreType.dab_sev
|
|||
dc = rosetta.core.scoring._core_scoring_.ScoreType.dc
|
|||
dihedral_constraint = rosetta.core.scoring._core_scoring_.Scor
|
|||
distance_chainbreak = rosetta.core.scoring._core_scoring_.Scor
|
|||
dna_base_distance = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
dna_bb_torsion = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
dna_bp = rosetta.core.scoring._core_scoring_.ScoreType.dna_bp
|
|||
dna_bs = rosetta.core.scoring._core_scoring_.ScoreType.dna_bs
|
|||
dna_chi = rosetta.core.scoring._core_scoring_.ScoreType.dna_chi
|
|||
dna_dr = rosetta.core.scoring._core_scoring_.ScoreType.dna_dr
|
|||
dna_sugar_close = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
dock_ens_conf = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
dof_constraint = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
dslf_ca_dih = rosetta.core.scoring._core_scoring_.ScoreType.ds
|
|||
dslf_cbs_ds = rosetta.core.scoring._core_scoring_.ScoreType.ds
|
|||
dslf_cs_ang = rosetta.core.scoring._core_scoring_.ScoreType.ds
|
|||
dslf_fa13 = rosetta.core.scoring._core_scoring_.ScoreType.dslf
|
|||
dslf_ss_dih = rosetta.core.scoring._core_scoring_.ScoreType.ds
|
|||
dslf_ss_dst = rosetta.core.scoring._core_scoring_.ScoreType.ds
|
|||
dslfc_RT = rosetta.core.scoring._core_scoring_.ScoreType.dslfc_RT
|
|||
dslfc_ang = rosetta.core.scoring._core_scoring_.ScoreType.dslf
|
|||
dslfc_bb_dih = rosetta.core.scoring._core_scoring_.ScoreType.d
|
|||
dslfc_cb_dih = rosetta.core.scoring._core_scoring_.ScoreType.d
|
|||
dslfc_cb_dst = rosetta.core.scoring._core_scoring_.ScoreType.d
|
|||
dslfc_cen_dst = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
dslfc_rot = rosetta.core.scoring._core_scoring_.ScoreType.dslf
|
|||
dslfc_trans = rosetta.core.scoring._core_scoring_.ScoreType.ds
|
|||
dummy_score_type = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
dunbrack_constraint = rosetta.core.scoring._core_scoring_.Scor
|
|||
e_pH = rosetta.core.scoring._core_scoring_.ScoreType.e_pH
|
|||
elec_dens_atomwise = rosetta.core.scoring._core_scoring_.Score
|
|||
elec_dens_fast = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
elec_dens_whole_structure_allatom = rosetta.core.scoring._core
|
|||
elec_dens_whole_structure_ca = rosetta.core.scoring._core_scor
|
|||
elec_dens_window = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
elec_pair_nblist = rosetta.core.scoring._core_scoring_.min_pai
|
|||
end_of_score_type_enumeration = rosetta.core.scoring._core_sco
|
|||
env = rosetta.core.scoring._core_scoring_.ScoreType.env
|
|||
envsmooth = rosetta.core.scoring._core_scoring_.ScoreType.envs
|
|||
etab_classic_intrares_pair_nblist = rosetta.core.scoring._core
|
|||
etab_classic_intrares_single_nblist = rosetta.core.scoring._co
|
|||
etab_pair_nblist = rosetta.core.scoring._core_scoring_.min_pai
|
|||
etab_single_nblist = rosetta.core.scoring._core_scoring_.min_s
|
|||
fa_atr = rosetta.core.scoring._core_scoring_.ScoreType.fa_atr
|
|||
fa_atr_dummy = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_cust_pair_dist = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
fa_custom_pair_dist_data = rosetta.core.scoring._core_scoring_
|
|||
fa_dslf_respair_data = rosetta.core.scoring._core_scoring_.min
|
|||
fa_dun = rosetta.core.scoring._core_scoring_.ScoreType.fa_dun
|
|||
fa_dun_dev = rosetta.core.scoring._core_scoring_.ScoreType.fa_
|
|||
fa_dun_rot = rosetta.core.scoring._core_scoring_.ScoreType.fa_
|
|||
fa_dun_semi = rosetta.core.scoring._core_scoring_.ScoreType.fa
|
|||
fa_elec = rosetta.core.scoring._core_scoring_.ScoreType.fa_elec
|
|||
fa_elec_aro_all = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
fa_elec_aro_aro = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
fa_elec_bb_bb = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
fa_elec_bb_sc = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
fa_elec_rna_base_base = rosetta.core.scoring._core_scoring_.Sc
|
|||
fa_elec_rna_base_base_fast = rosetta.core.scoring._core_scorin
|
|||
fa_elec_rna_phos_base = rosetta.core.scoring._core_scoring_.Sc
|
|||
fa_elec_rna_phos_base_fast = rosetta.core.scoring._core_scorin
|
|||
fa_elec_rna_phos_phos = rosetta.core.scoring._core_scoring_.Sc
|
|||
fa_elec_rna_phos_phos_fast = rosetta.core.scoring._core_scorin
|
|||
fa_elec_rna_phos_sugr = rosetta.core.scoring._core_scoring_.Sc
|
|||
fa_elec_rna_phos_sugr_fast = rosetta.core.scoring._core_scorin
|
|||
fa_elec_rna_sugr_base = rosetta.core.scoring._core_scoring_.Sc
|
|||
fa_elec_rna_sugr_base_fast = rosetta.core.scoring._core_scorin
|
|||
fa_elec_rna_sugr_sugr = rosetta.core.scoring._core_scoring_.Sc
|
|||
fa_elec_rna_sugr_sugr_fast = rosetta.core.scoring._core_scorin
|
|||
fa_elec_sc_sc = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
fa_grpelec = rosetta.core.scoring._core_scoring_.ScoreType.fa_
|
|||
fa_intra_RNA_base_phos_atr = rosetta.core.scoring._core_scorin
|
|||
fa_intra_RNA_base_phos_rep = rosetta.core.scoring._core_scorin
|
|||
fa_intra_RNA_base_phos_sol = rosetta.core.scoring._core_scorin
|
|||
fa_intra_atr = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_intra_atr_xover4 = rosetta.core.scoring._core_scoring_.Scor
|
|||
fa_intra_rep = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_intra_rep_xover4 = rosetta.core.scoring._core_scoring_.Scor
|
|||
fa_intra_sol = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_intra_sol_xover4 = rosetta.core.scoring._core_scoring_.Scor
|
|||
fa_mbenv = rosetta.core.scoring._core_scoring_.ScoreType.fa_mbenv
|
|||
fa_mbsolv = rosetta.core.scoring._core_scoring_.ScoreType.fa_m
|
|||
fa_pair = rosetta.core.scoring._core_scoring_.ScoreType.fa_pair
|
|||
fa_pair_aro_aro = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
fa_pair_aro_pol = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
fa_pair_pol_pol = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
fa_plane = rosetta.core.scoring._core_scoring_.ScoreType.fa_plane
|
|||
fa_rep = rosetta.core.scoring._core_scoring_.ScoreType.fa_rep
|
|||
fa_rep_dummy = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_sol = rosetta.core.scoring._core_scoring_.ScoreType.fa_sol
|
|||
fa_sol_dummy = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_stack = rosetta.core.scoring._core_scoring_.ScoreType.fa_stack
|
|||
fa_stack_aro = rosetta.core.scoring._core_scoring_.ScoreType.f
|
|||
fa_stack_lower = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
fa_stack_upper = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
facts_elec = rosetta.core.scoring._core_scoring_.ScoreType.fac
|
|||
facts_sasa = rosetta.core.scoring._core_scoring_.ScoreType.fac
|
|||
facts_solv = rosetta.core.scoring._core_scoring_.ScoreType.fac
|
|||
fastsaxs = rosetta.core.scoring._core_scoring_.ScoreType.fastsaxs
|
|||
fiberdiffraction = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
fiberdiffractiondens = rosetta.core.scoring._core_scoring_.Sco
|
|||
free_2HOprime = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
free_base = rosetta.core.scoring._core_scoring_.ScoreType.free
|
|||
free_dof = rosetta.core.scoring._core_scoring_.ScoreType.free_dof
|
|||
free_res = rosetta.core.scoring._core_scoring_.ScoreType.free_res
|
|||
free_side_chain = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
free_suite = rosetta.core.scoring._core_scoring_.ScoreType.fre
|
|||
gauss = rosetta.core.scoring._core_scoring_.ScoreType.gauss
|
|||
gb_elec = rosetta.core.scoring._core_scoring_.ScoreType.gb_elec
|
|||
geom_sol = rosetta.core.scoring._core_scoring_.ScoreType.geom_sol
|
|||
geom_sol_fast = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
geom_sol_fast_intra_RNA = rosetta.core.scoring._core_scoring_.
|
|||
geom_sol_intra_RNA = rosetta.core.scoring._core_scoring_.Score
|
|||
geom_solv_pair_nblist = rosetta.core.scoring._core_scoring_.mi
|
|||
goap = rosetta.core.scoring._core_scoring_.ScoreType.goap
|
|||
goap_angle = rosetta.core.scoring._core_scoring_.ScoreType.goa
|
|||
goap_dist = rosetta.core.scoring._core_scoring_.ScoreType.goap
|
|||
h2o_hbond = rosetta.core.scoring._core_scoring_.ScoreType.h2o_
|
|||
h2o_intra = rosetta.core.scoring._core_scoring_.ScoreType.h2o_
|
|||
hack_aro = rosetta.core.scoring._core_scoring_.ScoreType.hack_aro
|
|||
hbond = rosetta.core.scoring._core_scoring_.ScoreType.hbond
|
|||
hbond_bb_sc = rosetta.core.scoring._core_scoring_.ScoreType.hb
|
|||
hbond_intra = rosetta.core.scoring._core_scoring_.ScoreType.hb
|
|||
hbond_lr_bb = rosetta.core.scoring._core_scoring_.ScoreType.hb
|
|||
hbond_lr_bb_sc = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
hbond_res_data = rosetta.core.scoring._core_scoring_.min_singl
|
|||
hbond_respair_data = rosetta.core.scoring._core_scoring_.min_p
|
|||
hbond_sc = rosetta.core.scoring._core_scoring_.ScoreType.hbond_sc
|
|||
hbond_sr_bb = rosetta.core.scoring._core_scoring_.ScoreType.hb
|
|||
hbond_sr_bb_sc = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
holes = rosetta.core.scoring._core_scoring_.ScoreType.holes
|
|||
holes_decoy = rosetta.core.scoring._core_scoring_.ScoreType.ho
|
|||
holes_min = rosetta.core.scoring._core_scoring_.ScoreType.hole
|
|||
holes_min_mean = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
holes_resl = rosetta.core.scoring._core_scoring_.ScoreType.hol
|
|||
hpatch = rosetta.core.scoring._core_scoring_.ScoreType.hpatch
|
|||
hs_pair = rosetta.core.scoring._core_scoring_.ScoreType.hs_pair
|
|||
hybrid_vdw = rosetta.core.scoring._core_scoring_.ScoreType.hyb
|
|||
interchain_contact = rosetta.core.scoring._core_scoring_.Score
|
|||
interchain_env = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
interchain_pair = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
interchain_vdw = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
interface_dd_pair = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
intermol = rosetta.core.scoring._core_scoring_.ScoreType.intermol
|
|||
linear_chainbreak = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
lk_PolarNonPolar_pair_nblist = rosetta.core.scoring._core_scor
|
|||
lk_ball = rosetta.core.scoring._core_scoring_.ScoreType.lk_ball
|
|||
lk_ball_iso = rosetta.core.scoring._core_scoring_.ScoreType.lk
|
|||
lk_ball_wtd = rosetta.core.scoring._core_scoring_.ScoreType.lk
|
|||
lk_costheta = rosetta.core.scoring._core_scoring_.ScoreType.lk
|
|||
lk_hack = rosetta.core.scoring._core_scoring_.ScoreType.lk_hack
|
|||
lk_nonpolar = rosetta.core.scoring._core_scoring_.ScoreType.lk
|
|||
lk_nonpolar_intra_RNA = rosetta.core.scoring._core_scoring_.Sc
|
|||
lk_polar = rosetta.core.scoring._core_scoring_.ScoreType.lk_polar
|
|||
lk_polar_intra_RNA = rosetta.core.scoring._core_scoring_.Score
|
|||
lkb_res_data = rosetta.core.scoring._core_scoring_.min_single_
|
|||
lkb_respair_data = rosetta.core.scoring._core_scoring_.min_pai
|
|||
loop_close = rosetta.core.scoring._core_scoring_.ScoreType.loo
|
|||
metalhash_constraint = rosetta.core.scoring._core_scoring_.Sco
|
|||
mg_ref = rosetta.core.scoring._core_scoring_.ScoreType.mg_ref
|
|||
missing_res = rosetta.core.scoring._core_scoring_.ScoreType.mi
|
|||
mm_bend = rosetta.core.scoring._core_scoring_.ScoreType.mm_bend
|
|||
mm_lj_inter_atr = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
mm_lj_inter_rep = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
mm_lj_intra_atr = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
mm_lj_intra_rep = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
mm_stretch = rosetta.core.scoring._core_scoring_.ScoreType.mm_
|
|||
mm_twist = rosetta.core.scoring._core_scoring_.ScoreType.mm_twist
|
|||
n_ci_2b_score_types = rosetta.core.scoring._core_scoring_.Scor
|
|||
n_min_pair_data = rosetta.core.scoring._core_scoring_.min_pair
|
|||
n_min_single_data = rosetta.core.scoring._core_scoring_.min_si
|
|||
n_score_types = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
n_shortranged_2b_score_types = rosetta.core.scoring._core_scor
|
|||
natbias_hh = rosetta.core.scoring._core_scoring_.ScoreType.nat
|
|||
natbias_hs = rosetta.core.scoring._core_scoring_.ScoreType.nat
|
|||
natbias_ss = rosetta.core.scoring._core_scoring_.ScoreType.nat
|
|||
natbias_stwist = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
neigh_count = rosetta.core.scoring._core_scoring_.ScoreType.ne
|
|||
neigh_vect = rosetta.core.scoring._core_scoring_.ScoreType.nei
|
|||
neigh_vect_raw = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
nmer_pssm = rosetta.core.scoring._core_scoring_.ScoreType.nmer
|
|||
nmer_ref = rosetta.core.scoring._core_scoring_.ScoreType.nmer_ref
|
|||
nmer_svm = rosetta.core.scoring._core_scoring_.ScoreType.nmer_svm
|
|||
num_context_graph_types = rosetta.core.scoring._core_scoring_.
|
|||
occ_sol_exact = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
occ_sol_fitted = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
occ_sol_fitted_onebody = rosetta.core.scoring._core_scoring_.S
|
|||
omega = rosetta.core.scoring._core_scoring_.ScoreType.omega
|
|||
omega2b_offset = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
orbitals_hpol_bb = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
other_pose = rosetta.core.scoring._core_scoring_.ScoreType.oth
|
|||
overlap_chainbreak = rosetta.core.scoring._core_scoring_.Score
|
|||
p_aa = rosetta.core.scoring._core_scoring_.ScoreType.p_aa
|
|||
p_aa_pp = rosetta.core.scoring._core_scoring_.ScoreType.p_aa_pp
|
|||
p_aa_pp_offset = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
pack_stat = rosetta.core.scoring._core_scoring_.ScoreType.pack
|
|||
pair = rosetta.core.scoring._core_scoring_.ScoreType.pair
|
|||
patterson_cc = rosetta.core.scoring._core_scoring_.ScoreType.p
|
|||
pci_cation_pi = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
pci_hbond = rosetta.core.scoring._core_scoring_.ScoreType.pci_
|
|||
pci_pi_pi = rosetta.core.scoring._core_scoring_.ScoreType.pci_
|
|||
pci_salt_bridge = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
pcs = rosetta.core.scoring._core_scoring_.ScoreType.pcs
|
|||
pcs2 = rosetta.core.scoring._core_scoring_.ScoreType.pcs2
|
|||
pcsTs1 = rosetta.core.scoring._core_scoring_.ScoreType.pcsTs1
|
|||
pcsTs2 = rosetta.core.scoring._core_scoring_.ScoreType.pcsTs2
|
|||
pcsTs3 = rosetta.core.scoring._core_scoring_.ScoreType.pcsTs3
|
|||
pcsTs4 = rosetta.core.scoring._core_scoring_.ScoreType.pcsTs4
|
|||
pddf_score = rosetta.core.scoring._core_scoring_.ScoreType.pdd
|
|||
peptide_bond = rosetta.core.scoring._core_scoring_.ScoreType.p
|
|||
pocket_constraint = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
pro_close = rosetta.core.scoring._core_scoring_.ScoreType.pro_
|
|||
protein_torsion_end = rosetta.core.scoring._core_scoring_.Prot
|
|||
python = rosetta.core.scoring._core_scoring_.ScoreType.python
|
|||
rama = rosetta.core.scoring._core_scoring_.ScoreType.rama
|
|||
rama2b = rosetta.core.scoring._core_scoring_.ScoreType.rama2b
|
|||
rama2b_offset = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
rdc = rosetta.core.scoring._core_scoring_.ScoreType.rdc
|
|||
rdc_rohl = rosetta.core.scoring._core_scoring_.ScoreType.rdc_rohl
|
|||
rdc_segments = rosetta.core.scoring._core_scoring_.ScoreType.r
|
|||
ref = rosetta.core.scoring._core_scoring_.ScoreType.ref
|
|||
ref_nc = rosetta.core.scoring._core_scoring_.ScoreType.ref_nc
|
|||
res_type_constraint = rosetta.core.scoring._core_scoring_.Scor
|
|||
res_type_linking_constraint = rosetta.core.scoring._core_scori
|
|||
rg = rosetta.core.scoring._core_scoring_.ScoreType.rg
|
|||
rg_local = rosetta.core.scoring._core_scoring_.ScoreType.rg_local
|
|||
rms = rosetta.core.scoring._core_scoring_.ScoreType.rms
|
|||
rna_backbone_backbone = rosetta.core.scoring._core_scoring_.Sc
|
|||
rna_base_axis = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
rna_base_axis_pairwise = rosetta.core.scoring._core_scoring_.S
|
|||
rna_base_backbone = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
rna_base_pair = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
rna_base_pair_pairwise = rosetta.core.scoring._core_scoring_.S
|
|||
rna_base_stack = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
rna_base_stack_axis = rosetta.core.scoring._core_scoring_.Scor
|
|||
rna_base_stack_axis_pairwise = rosetta.core.scoring._core_scor
|
|||
rna_base_stack_pairwise = rosetta.core.scoring._core_scoring_.
|
|||
rna_base_stagger = rosetta.core.scoring._core_scoring_.ScoreTy
|
|||
rna_base_stagger_pairwise = rosetta.core.scoring._core_scoring
|
|||
rna_bond_geometry = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
rna_bulge = rosetta.core.scoring._core_scoring_.ScoreType.rna_
|
|||
rna_chem_map = rosetta.core.scoring._core_scoring_.ScoreType.r
|
|||
rna_chem_map_lores = rosetta.core.scoring._core_scoring_.Score
|
|||
rna_chem_shift = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
rna_data_backbone = rosetta.core.scoring._core_scoring_.ScoreT
|
|||
rna_data_base = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
rna_fa_atr_base = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
rna_fa_rep_base = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
rna_jr_suite = rosetta.core.scoring._core_scoring_.ScoreType.r
|
|||
rna_mg = rosetta.core.scoring._core_scoring_.ScoreType.rna_mg
|
|||
rna_mg_indirect = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
rna_mg_rep = rosetta.core.scoring._core_scoring_.ScoreType.rna
|
|||
rna_repulsive = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
rna_rg = rosetta.core.scoring._core_scoring_.ScoreType.rna_rg
|
|||
rna_sugar_close = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
rna_suite = rosetta.core.scoring._core_scoring_.ScoreType.rna_
|
|||
rna_torsion = rosetta.core.scoring._core_scoring_.ScoreType.rn
|
|||
rna_torsion_sc = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
rna_vdw = rosetta.core.scoring._core_scoring_.ScoreType.rna_vdw
|
|||
rsigma = rosetta.core.scoring._core_scoring_.ScoreType.rsigma
|
|||
sa = rosetta.core.scoring._core_scoring_.ScoreType.sa
|
|||
saxs_cen_score = rosetta.core.scoring._core_scoring_.ScoreType
|
|||
saxs_fa_score = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
saxs_score = rosetta.core.scoring._core_scoring_.ScoreType.sax
|
|||
seqdep_ref = rosetta.core.scoring._core_scoring_.ScoreType.seq
|
|||
sheet = rosetta.core.scoring._core_scoring_.ScoreType.sheet
|
|||
site_constraint = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
special_rot = rosetta.core.scoring._core_scoring_.ScoreType.sp
|
|||
ss_pair = rosetta.core.scoring._core_scoring_.ScoreType.ss_pair
|
|||
stack_elec = rosetta.core.scoring._core_scoring_.ScoreType.sta
|
|||
stack_elec_base_base = rosetta.core.scoring._core_scoring_.Sco
|
|||
stack_elec_base_bb = rosetta.core.scoring._core_scoring_.Score
|
|||
suck = rosetta.core.scoring._core_scoring_.ScoreType.suck
|
|||
sugar_bb = rosetta.core.scoring._core_scoring_.ScoreType.sugar_bb
|
|||
suiteness_bonus = rosetta.core.scoring._core_scoring_.ScoreTyp
|
|||
surface = rosetta.core.scoring._core_scoring_.ScoreType.surface
|
|||
symE_bonus = rosetta.core.scoring._core_scoring_.ScoreType.sym
|
|||
sym_lig = rosetta.core.scoring._core_scoring_.ScoreType.sym_lig
|
|||
ten_A_neighbor_graph = rosetta.core.scoring._core_scoring_.Con
|
|||
total_score = rosetta.core.scoring._core_scoring_.ScoreType.to
|
|||
twelve_A_neighbor_graph = rosetta.core.scoring._core_scoring_.
|
|||
unfolded = rosetta.core.scoring._core_scoring_.ScoreType.unfolded
|
|||
vall_lb = rosetta.core.scoring._core_scoring_.ScoreType.vall_lb
|
|||
vdw = rosetta.core.scoring._core_scoring_.ScoreType.vdw
|
|||
xtal_ml = rosetta.core.scoring._core_scoring_.ScoreType.xtal_ml
|
|||
xtal_rfree = rosetta.core.scoring._core_scoring_.ScoreType.xta
|
|||
xtal_rwork = rosetta.core.scoring._core_scoring_.ScoreType.xta
|
|||
yhh_planarity = rosetta.core.scoring._core_scoring_.ScoreType.
|
|||
|
|||
CA_gdtmm( (Pose)pose1, (Pose)pose2, (object)residue_selection) -> float :
Calculate gdtmm score based on the C-alpha positions in pose1 and pose2.
C++ signature :
double CA_gdtmm(core::pose::Pose,core::pose::Pose,std::list<unsigned long, std::allocator<unsigned long> >)
CA_gdtmm( (Pose)pose1, (Pose)pose2, (object)residue_selection, (float)m_1_1, (float)m_2_2, (float)m_3_3, (float)m_4_3, (float)m_7_4) -> float :
core/scoring/rms_util.hh:452
C++ signature :
double CA_gdtmm(core::pose::Pose,core::pose::Pose,std::list<unsigned long, std::allocator<unsigned long> >,double {lvalue},double {lvalue},double {lvalue},double {lvalue},double {lvalue})
CA_gdtmm( (Pose)pose1, (Pose)pose2, (float)m_1_1, (float)m_2_2, (float)m_3_3, (float)m_4_3, (float)m_7_4) -> float :
Calculate gdtmm score based on the C-alpha positions in pose1 and pose2. Also returns the
five components of the gdtmm score.
C++ signature :
double CA_gdtmm(core::pose::Pose,core::pose::Pose,double {lvalue},double {lvalue},double {lvalue},double {lvalue},double {lvalue})
CA_gdtmm( (Pose)pose1, (Pose)pose2) -> float :
Calculate gdtmm score based on the C-alpha positions in pose1 and pose2.
C++ signature :
double CA_gdtmm(core::pose::Pose,core::pose::Pose)
CA_gdtmm( (Pose)pose1, (Pose)pose2, (map_Size_Size)residues) -> float :
Compute the CA RMSD between two poses.
C++ signature :
double CA_gdtmm(core::pose::Pose,core::pose::Pose,std::map<unsigned long, unsigned long, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, unsigned long> > >)
|
CA_gdttm( (Pose)pose1, (Pose)pose2, (float)gdttm_score, (float)gdtha_score) -> None :
core/scoring/rms_util.hh:494
C++ signature :
void CA_gdttm(core::pose::Pose,core::pose::Pose,double {lvalue},double {lvalue})
CA_gdttm( (Pose)pose1, (Pose)pose2, (float)gdttm_score, (float)gdtha_score, (map_Size_Size)residues) -> None :
core/scoring/rms_util.hh:486
C++ signature :
void CA_gdttm(core::pose::Pose,core::pose::Pose,double {lvalue},double {lvalue},std::map<unsigned long, unsigned long, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, unsigned long> > >)
CA_gdttm( (Pose)pose1, (Pose)pose2, (float)gdttm_score, (float)gdtha_score, (object)residue_selection) -> None :
Calculate gdttm score based on the C-alpha positions in pose1 and pose2.
C++ signature :
void CA_gdttm(core::pose::Pose,core::pose::Pose,double {lvalue},double {lvalue},std::list<unsigned long, std::allocator<unsigned long> >)
|
CA_maxsub( (Pose)pose1, (Pose)pose2, (object)residue_selection [, (float)rms=4.0]) -> int :
core/scoring/rms_util.hh:393
C++ signature :
int CA_maxsub(core::pose::Pose,core::pose::Pose,std::list<unsigned long, std::allocator<unsigned long> > [,double=4.0])
CA_maxsub( (Pose)pose1, (Pose)pose2 [, (float)rms=4.0]) -> int :
Calculates a C-alpha maxsub-based superposition between pose1 and pose2, returns
the number of residues superimposed past a certain threshold. See maxsub.hh and maxsub.cc
for more information.
C++ signature :
int CA_maxsub(core::pose::Pose,core::pose::Pose [,double=4.0])
|
CA_rmsd( (Pose)pose1, (Pose)pose2, (object)residue_selection) -> float :
core/scoring/rms_util.hh:331
C++ signature :
double CA_rmsd(core::pose::Pose,core::pose::Pose,std::list<unsigned long, std::allocator<unsigned long> >)
CA_rmsd( (Pose)pose1, (Pose)pose2, (int)start, (int)end, (vector1_Size)exclude) -> float :
core/scoring/rms_util.hh:323
C++ signature :
double CA_rmsd(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long,utility::vector1<unsigned long, std::allocator<unsigned long> >)
CA_rmsd( (Pose)pose1, (Pose)pose2 [, (int)start=1 [, (int)end=0]]) -> float :
Compute rmsd for residues between start and end.
If start and end aren't specified, use the entire pose.
C++ signature :
double CA_rmsd(core::pose::Pose,core::pose::Pose [,unsigned long=1 [,unsigned long=0]])
CA_rmsd( (Pose)pose1, (Pose)pose2, (map_Size_Size)residues) -> float :
Compute the CA RMSD between two poses.
C++ signature :
double CA_rmsd(core::pose::Pose,core::pose::Pose,std::map<unsigned long, unsigned long, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, unsigned long> > >)
|
CA_rmsd_symmetric( (Pose)pose1, (Pose)pose2) -> float :
core/scoring/rms_util.hh:534
C++ signature :
double CA_rmsd_symmetric(core::pose::Pose,core::pose::Pose)
|
MembraneEmbed_from_pose( (Pose)pose) -> MembraneEmbed :
Add Const Membrane Embedding to the pose cache
C++ signature :
core::scoring::MembraneEmbed MembraneEmbed_from_pose(core::pose::Pose)
|
MembraneTopology_from_pose( (Pose)pose) -> MembraneTopology :
core/scoring/MembraneTopology.hh:262
C++ signature :
core::scoring::MembraneTopology MembraneTopology_from_pose(core::pose::Pose)
|
Membrane_FAEmbed_from_pose( (Pose)) -> Membrane_FAEmbed :
Grab Const MP Fa Embedding data from the pose cache
C++ signature :
core::scoring::Membrane_FAEmbed Membrane_FAEmbed_from_pose(core::pose::Pose)
|
all_atom_rmsd( (Pose)pose1, (Pose)pose2, (object)residue_selection) -> float :
core/scoring/rms_util.hh:356
C++ signature :
double all_atom_rmsd(core::pose::Pose,core::pose::Pose,std::list<unsigned long, std::allocator<unsigned long> >)
all_atom_rmsd( (Pose)pose1, (Pose)pose2) -> float :
core/scoring/rms_util.hh:337
C++ signature :
double all_atom_rmsd(core::pose::Pose,core::pose::Pose)
|
all_atom_rmsd_nosuper( (Pose)pose1, (Pose)pose2) -> float :
core/scoring/rms_util.hh:349
C++ signature :
double all_atom_rmsd_nosuper(core::pose::Pose,core::pose::Pose)
|
all_scatom_rmsd_nosuper( (Pose)pose1, (Pose)pose2) -> float :
core/scoring/rms_util.hh:343
C++ signature :
double all_scatom_rmsd_nosuper(core::pose::Pose,core::pose::Pose)
|
automorphic_rmsd( (Residue)rsd1, (Residue)rsd2, (bool)superimpose) -> float :
RMSD between residues, accounting for automorphisms
(symmetries). For example if you have something like a tyrosine,
you won't get a higher rmsd just because you flipped the ring 180 degrees (Rocco).
Does NOT include H atoms -- they add lots of extra symmetries.
C++ signature :
double automorphic_rmsd(core::conformation::Residue,core::conformation::Residue,bool)
|
bb_rmsd( (Pose)pose1, (Pose)pose2) -> float :
Compute rmsd for only backbone residues (excluding carboxyl oxygen)
C++ signature :
double bb_rmsd(core::pose::Pose,core::pose::Pose)
|
bb_rmsd_including_O( (Pose)pose1, (Pose)pose2) -> float :
Compute rmsd for only backbone residues (including carboxyl oxygen)
C++ signature :
double bb_rmsd_including_O(core::pose::Pose,core::pose::Pose)
|
calc_atom_masks( (Residue)irsd, (Residue)jrsd, (float)probe_radius, (float)cutoff_distance, (vector1_Real)radii, (AtomID_Map_T_bool_T)atom_subset, (object)atom_mask) -> None :
core/scoring/sasa.hh:90
C++ signature :
void calc_atom_masks(core::conformation::Residue,core::conformation::Residue,double,double,utility::vector1<double, std::allocator<double> >,core::id::AtomID_Map<bool>,core::id::AtomID_Map<utility::vector1<ObjexxFCL::ubyte, std::allocator<ObjexxFCL::ubyte> > > {lvalue})
|
calc_per_atom_sasa( (Pose)pose, (AtomID_Map_T_double_T)atom_sasa, (vector1_Real)rsd_sasa, (float)probe_radius, (bool)use_big_polar_H, (AtomID_Map_T_bool_T)atom_subset [, (bool)use_naccess_sasa_radii=False [, (bool)expand_polar_radii=False [, (float)polar_expansion_radius=1.0 [, (bool)include_probe_radius_in_atom_radii=True [, (bool)use_lj_radii=False]]]]]) -> float :
core/scoring/sasa.hh:79
C++ signature :
double calc_per_atom_sasa(core::pose::Pose,core::id::AtomID_Map<double> {lvalue},utility::vector1<double, std::allocator<double> > {lvalue},double,bool,core::id::AtomID_Map<bool> {lvalue} [,bool=False [,bool=False [,double=1.0 [,bool=True [,bool=False]]]]])
calc_per_atom_sasa( (Pose)pose, (AtomID_Map_T_double_T)atom_sasa, (vector1_Real)rsd_sasa, (float)probe_radius [, (bool)use_big_polar_H=False]) -> float :
Return total SASA
C++ signature :
double calc_per_atom_sasa(core::pose::Pose,core::id::AtomID_Map<double> {lvalue},utility::vector1<double, std::allocator<double> > {lvalue},double [,bool=False])
|
calc_per_atom_sasa_sc( (Pose)pose, (vector1_Real)rsd_sasa, (bool)normalize) -> float :
core/scoring/sasa.hh:58
C++ signature :
double calc_per_atom_sasa_sc(core::pose::Pose,utility::vector1<double, std::allocator<double> > {lvalue},bool)
|
calc_per_res_hydrophobic_sasa( (Pose)pose, (vector1_Real)rsd_sasa, (vector1_Real)rsd_hydrophobic_sasa, (float)probe_radius [, (bool)use_naccess_sasa_radii=False]) -> float :
core/scoring/sasa.hh:104
C++ signature :
double calc_per_res_hydrophobic_sasa(core::pose::Pose,utility::vector1<double, std::allocator<double> > {lvalue},utility::vector1<double, std::allocator<double> > {lvalue},double [,bool=False])
|
calc_total_sasa( (Pose)pose, (float)probe_radius) -> float :
returns total sasa
C++ signature :
double calc_total_sasa(core::pose::Pose,double)
|
calpha_superimpose_pose( (Pose)mod_pose, (Pose)ref_pose) -> float :
Superimpose two poses by their calpha coordinates. Ignores residues
that do not have atoms named "CA."
C++ signature :
double calpha_superimpose_pose(core::pose::Pose {lvalue},core::pose::Pose)
|
compute_bb_centroid( (Residue)r1) -> xyzVector_Real :
Compute the average coordinate of the backbone heavy atoms
(aka center of mass).
C++ signature :
numeric::xyzVector<double> compute_bb_centroid(core::conformation::Residue)
|
compute_bb_radius( (Residue)r1, (xyzVector_Real)r1bb_centroid) -> float :
Given a representative point for the center of the backbone,
compute the largest distance of all backbone heavy atoms to that point.
C++ signature :
double compute_bb_radius(core::conformation::Residue,numeric::xyzVector<double>)
|
compute_jump_rmsd( (Pose)reference, (Pose)model, (object)rmsds) -> None :
Computes the RMSD of the jump residues between <model> and <native>,
storing the results in a map keyed by jump_id.
C++ signature :
void compute_jump_rmsd(core::pose::Pose,core::pose::Pose,boost::unordered::unordered_map<unsigned long, double, boost::hash<unsigned long>, std::equal_to<unsigned long>, std::allocator<std::pair<unsigned long const, double> > >*)
|
compute_sc_centroid( (Residue)r1) -> xyzVector_Real :
Compute the average coordiante of the sidechain atoms, (aka center of mass)
or, if there are no side chain heavy atoms, compute the center of mass of the
backbone.
C++ signature :
numeric::xyzVector<double> compute_sc_centroid(core::conformation::Residue)
|
compute_sc_radius( (Residue)r1, (xyzVector_Real)r1sc_centroid) -> float :
Given a representative point for the center of the sidechain,
compute the largest distance of all sidechain heavy atoms to that point.
C++ signature :
double compute_sc_radius(core::conformation::Residue,numeric::xyzVector<double>)
|
create_score_function( (str)arg1) -> ScoreFunction :
C++ signature :
boost::shared_ptr<core::scoring::ScoreFunction> create_score_function(std::string)
|
create_score_function_ws_patch( (str)arg1, (str)arg2) -> ScoreFunction :
C++ signature :
boost::shared_ptr<core::scoring::ScoreFunction> create_score_function_ws_patch(std::string,std::string)
|
create_shuffle_map_recursive_rms( (std_vector_int)sequence, (int)N, (object)map) -> None :
core/scoring/rms_util.hh:546
C++ signature :
void create_shuffle_map_recursive_rms(std::vector<int, std::allocator<int> >,int,std::vector<std::vector<int, std::allocator<int> >, std::allocator<std::vector<int, std::allocator<int> > > > {lvalue})
|
eval_atom_derivatives_for_minedge( (MinimizationEdge)min_edge, (Residue)res1, (Residue)res2, (ResSingleMinimizationData)res1_min_data, (ResSingleMinimizationData)res2_min_data, (Pose)pose, (EMapVector)respair_weights, (object)r1atom_derivs, (object)r2atom_derivs) -> None :
core/scoring/MinimizationGraph.hh:526
C++ signature :
void eval_atom_derivatives_for_minedge(core::scoring::MinimizationEdge,core::conformation::Residue,core::conformation::Residue,core::scoring::ResSingleMinimizationData,core::scoring::ResSingleMinimizationData,core::pose::Pose,core::scoring::EMapVector,utility::vector1<core::scoring::DerivVectorPair, std::allocator<core::scoring::DerivVectorPair> > {lvalue},utility::vector1<core::scoring::DerivVectorPair, std::allocator<core::scoring::DerivVectorPair> > {lvalue})
|
eval_atom_derivatives_for_minnode( (MinimizationNode)min_node, (Residue)rsd, (Pose)pose, (EMapVector)res_weights, (object)atom_derivs) -> None :
Evaluate the derivatives for all atoms on the input residue
for the terms that apply to this residue (which are stored on the input
minimization node).
C++ signature :
void eval_atom_derivatives_for_minnode(core::scoring::MinimizationNode,core::conformation::Residue,core::pose::Pose,core::scoring::EMapVector,utility::vector1<core::scoring::DerivVectorPair, std::allocator<core::scoring::DerivVectorPair> > {lvalue})
|
eval_bbbb_sr2b_energies( (Residue)r1, (Residue)r2, (xyzVector_Real)r1bb_centroid, (xyzVector_Real)r2bb_centroid, (float)r1bb_radius, (float)r2bb_radius, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap) -> None :
With two bounding spheres for a pair of backbones,
evaluate all the backbone/sidechain energies. This will
avoid a call to EnergyMethod E's backbone_backbone_energiy
method if either a) E's atomic_interaction_cutoff + r1bb_radius +
r2bb_radius < dist( r1bb_centroid, r2sc_centroid ) or b)
E returns "false" in a call to its divides_backbone_and_-
sidechain_energetics() method. The reason the call is avoided if
"false" is returned is that, the entirety of a residue-pair-energy
evaluation should be returned in the sidechain_sidechain_energy
evaluation, if E does not implement its own versions of the bb/bb,
bb/sc and sc/sc energy evaluation methods. Both context-dependent and
context-independent 2-body energies are evaluated in this
function.
C++ signature :
void eval_bbbb_sr2b_energies(core::conformation::Residue,core::conformation::Residue,numeric::xyzVector<double>,numeric::xyzVector<double>,double,double,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue})
|
eval_bbsc_sr2b_energies( (Residue)r1, (Residue)r2, (xyzVector_Real)r1bb_centroid, (xyzVector_Real)r2sc_centroid, (float)r1bb_radius, (float)r2sc_radius, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap) -> None :
With two bounding spheres for a backbone and a sidechain,
evaluate all the backbone/sidechain energies. This will
avoid a call to EnergyMethod E's backbone_sidechain_energiy
method if either a) E's atomic_interaction_cutoff + r1bb_radius +
r2sc_radius < dist( r1bb_centroid, r2sc_centroid ) or b)
E returns "false" in a call to its divides_backbone_and_-
sidechain_energetics() method. The reason the call is avoided if
"false" is returned is that, the entirety of a residue-pair-energy
evaluation should be returned in the sidechain_sidechain_energy
evaluation, if E does not implement its own versions of the bb/bb,
bb/sc and sc/sc energy evaluation methods. Both context-dependent and
context-independent 2-body energies are evaluated in this
function.
C++ signature :
void eval_bbsc_sr2b_energies(core::conformation::Residue,core::conformation::Residue,numeric::xyzVector<double>,numeric::xyzVector<double>,double,double,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue})
|
eval_dof_deriv_for_minnode( (MinimizationNode)min_node, (Residue)rsd, (Pose)pose, (DOF_ID)dof_id, (TorsionID)torsion_id, (ScoreFunction)sfxn, (EMapVector)weights) -> float :
core/scoring/MinimizationGraph.hh:577
C++ signature :
double eval_dof_deriv_for_minnode(core::scoring::MinimizationNode,core::conformation::Residue,core::pose::Pose,core::id::DOF_ID,core::id::TorsionID,core::scoring::ScoreFunction,core::scoring::EMapVector)
|
eval_res_onebody_energies_for_minnode( (MinimizationNode)min_node, (Residue)rsd, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap) -> None :
core/scoring/MinimizationGraph.hh:513
C++ signature :
void eval_res_onebody_energies_for_minnode(core::scoring::MinimizationNode,core::conformation::Residue,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue})
|
eval_res_pair_energy_for_minedge( (MinimizationEdge)min_edge, (Residue)res1, (Residue)res2, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap) -> None :
core/scoring/MinimizationGraph.hh:566
C++ signature :
void eval_res_pair_energy_for_minedge(core::scoring::MinimizationEdge,core::conformation::Residue,core::conformation::Residue,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue})
|
eval_scsc_sr2b_energies( (Residue)r1, (Residue)r2, (xyzVector_Real)r1sc_centroid, (xyzVector_Real)r2sc_centroid, (float)r1sc_radius, (float)r2sc_radius, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap) -> None :
With two bounding spheres for a pair of sidechains,
evaluate all the sidechain/sidechain energies. This will
avoid a call to EnergyMethod E's sidechain_sidechain_energiy
method if a) E's atomic_interaction_cutoff + r1sc_radius +
r2sc_radius < dist( r1sc_centroid, r2sc_centroid ) and b)
E returns "true" in a call to its divides_backbone_and_-
sidechain_energetics() method. Both context-dependent and
context-independent 2-body energies are evaluated in this
function.
C++ signature :
void eval_scsc_sr2b_energies(core::conformation::Residue,core::conformation::Residue,numeric::xyzVector<double>,numeric::xyzVector<double>,double,double,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue})
|
eval_weighted_atom_derivatives_for_minedge( (MinimizationEdge)min_edge, (Residue)res1, (Residue)res2, (ResSingleMinimizationData)res1_min_data, (ResSingleMinimizationData)res2_min_data, (Pose)pose, (EMapVector)respair_weights, (object)r1atom_derivs, (object)r2atom_derivs) -> None :
core/scoring/MinimizationGraph.hh:539
C++ signature :
void eval_weighted_atom_derivatives_for_minedge(core::scoring::MinimizationEdge,core::conformation::Residue,core::conformation::Residue,core::scoring::ResSingleMinimizationData,core::scoring::ResSingleMinimizationData,core::pose::Pose,core::scoring::EMapVector,utility::vector1<core::scoring::DerivVectorPair, std::allocator<core::scoring::DerivVectorPair> > {lvalue},utility::vector1<core::scoring::DerivVectorPair, std::allocator<core::scoring::DerivVectorPair> > {lvalue})
|
eval_weighted_dof_deriv_for_minnode( (MinimizationNode)min_node, (Residue)rsd, (Pose)pose, (DOF_ID)dof_id, (TorsionID)torsion_id, (ScoreFunction)sfxn, (EMapVector)weights) -> float :
core/scoring/MinimizationGraph.hh:639
C++ signature :
double eval_weighted_dof_deriv_for_minnode(core::scoring::MinimizationNode,core::conformation::Residue,core::pose::Pose,core::id::DOF_ID,core::id::TorsionID,core::scoring::ScoreFunction,core::scoring::EMapVector)
|
eval_weighted_res_onebody_energies_for_minnode( (MinimizationNode)min_node, (Residue)rsd, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap, (EMapVector)scratch_emap) -> None :
core/scoring/MinimizationGraph.hh:600
C++ signature :
void eval_weighted_res_onebody_energies_for_minnode(core::scoring::MinimizationNode,core::conformation::Residue,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue},core::scoring::EMapVector {lvalue})
|
eval_weighted_res_pair_energy_for_minedge( (MinimizationEdge)min_edge, (Residue)res1, (Residue)res2, (Pose)pose, (ScoreFunction)sfxn, (EMapVector)emap, (EMapVector)scratch_emap) -> None :
core/scoring/MinimizationGraph.hh:628
C++ signature :
void eval_weighted_res_pair_energy_for_minedge(core::scoring::MinimizationEdge,core::conformation::Residue,core::conformation::Residue,core::pose::Pose,core::scoring::ScoreFunction,core::scoring::EMapVector {lvalue},core::scoring::EMapVector {lvalue})
|
find_weights_file( (str)name [, (str)extension='.wts']) -> str :
Utility function to locate a weights or patch file, either with a fully qualified path,
in the local directory, or in the database. Names may be passes either with or without the
optional extension.
C++ signature :
std::string find_weights_file(std::string [,std::string='.wts'])
|
gdtha( (Pose)ref, (Pose)model, (map_Size_Size)residues) -> float :
Returns the average fraction of residues superimposable under a
series of distance thresholds-- 0.5, 1.0, 2.0, and 4.0 Angstroms.
C++ signature :
double gdtha(core::pose::Pose,core::pose::Pose,std::map<unsigned long, unsigned long, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, unsigned long> > >)
|
gdtsc( (Pose)ref, (Pose)model, (map_Size_Size)residues) -> float :
Returns a single, Global Distance Test-like value that measures the
extent to which the functional ends of a model's sidechains agree with their
counterparts in a given reference structure.
@detail Instead of comparing residue positions on the basis of CAs, gdtsc
uses a characteristic atom near the end of each sidechain type for the
evaluation of residue-residue distance deviations.
The traditional GDT score is a weighted sum of the fraction of residues
superimposed within limits of 1, 2, 4, and 8Ã
. For gdtsc, the backbone
superposition is used to calculate fractions of corresponding model-ref
sidechain atom pairs that fit under 10 distance-limit values from 0.5A
to 5A. Ambiguity in Asp or Glu terminal oxygen naming is not currently
considered.
Reference:
Keedy, DA. The other 90% of the protein. Proteins. 2009; 77 Suppl 9:29-49.
C++ signature :
double gdtsc(core::pose::Pose,core::pose::Pose,std::map<unsigned long, unsigned long, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, unsigned long> > >)
|
get_2way_orientation( (xyzVector_Real)a_xyz, (xyzVector_Real)b_xyz, (int)phi_a2b_index, (int)theta_a2b_index, (int)phi_b2a_index, (int)theta_b2a_index, (float)distance_ijxyz) -> None :
core/scoring/sasa.hh:51
C++ signature :
void get_2way_orientation(numeric::xyzVector<double>,numeric::xyzVector<double>,int {lvalue},int {lvalue},int {lvalue},int {lvalue},double)
|
core/scoring/sasa.hh:97
C++ signature :
ObjexxFCL::FArray2D<int> get_angles()
|
core/scoring/sasa.hh:98
C++ signature :
ObjexxFCL::FArray2D<ObjexxFCL::ubyte> get_masks()
|
core/scoring/sasa.hh:96
C++ signature :
int get_num_bytes()
|
get_orientation( (xyzVector_Real)a_xyz, (xyzVector_Real)b_xyz, (int)phi_index, (int)theta_index, (float)distance_ijxyz) -> None :
core/scoring/sasa.hh:43
C++ signature :
void get_orientation(numeric::xyzVector<double>,numeric::xyzVector<double>,int {lvalue},int {lvalue},double)
|
get_overlap( (float)radius_a, (float)radius_b, (float)distance_ijxyz, (int)degree_of_overlap) -> None :
core/scoring/sasa.hh:42
C++ signature :
void get_overlap(double,double,double,int {lvalue})
|
get_score_function([ (bool)is_fullatom=True]) -> ScoreFunction :
A helper function which returns a scoring function owning pointer according to the
user's command line parameters -score:weights and -score:patch
By default it returns weights=talaris2013 for fullatom,
and weights=cen_std and patch="" for centroid
C++ signature :
boost::shared_ptr<core::scoring::ScoreFunction> get_score_function([ bool=True])
|
get_score_functionName([ (bool)is_fullatom=True]) -> str :
use the logic of get_score_function to get the name.
The name format is <weights_tag>[_<patch_tag> ... ]
C++ signature :
std::string get_score_functionName([ bool=True])
|
get_score_function_legacy( (str)pre_talaris_2013_weight_set [, (str)pre_talaris_2013_patch_file='']) -> ScoreFunction :
A helper function that either returns a ScoreFunctionOP created by get_score_function() or
the one specified by the protocol which is activated by the -restore_pre_talaris_2013_behavior
flag. The purpose of this function is to preserve legacy behavior for the sake of reproducibility
and so that a record of the old behavior is still preserved in the code to ease the process of
reverting the change to get_score_function if that were the wrong behavior.
C++ signature :
boost::shared_ptr<core::scoring::ScoreFunction> get_score_function_legacy(std::string [,std::string=''])
|
core/scoring/sasa.hh:40
C++ signature :
void input_sasa_dats()
|
interpolate_value_and_deriv( (object)potential, (float)bin_width, (float)r, (float)value, (float)deriv) -> None :
//////////////////////////////////////////////////////////////////////////////////////
C++ signature :
void interpolate_value_and_deriv(ObjexxFCL::FArray1D<double>,double,double,double {lvalue},double {lvalue})
|
invert_exclude_residues( (int)nres, (vector1_int)exclude_list) -> object :
core/scoring/rms_util.hh:52
C++ signature :
std::list<unsigned long, std::allocator<unsigned long> > invert_exclude_residues(unsigned long,utility::vector1<int, std::allocator<int> >)
invert_exclude_residues( (int)nres, (vector1_int)exclude_list, (object)) -> None :
core/scoring/rms_util.hh:50
C++ signature :
void invert_exclude_residues(unsigned long,utility::vector1<int, std::allocator<int> >,std::list<unsigned long, std::allocator<unsigned long> > {lvalue})
|
is_heavyatom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:191
C++ signature :
bool is_heavyatom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_ligand_heavyatom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:169
C++ signature :
bool is_ligand_heavyatom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_ligand_heavyatom_residues( (Residue)residue1, (Residue), (int)atomno) -> bool :
core/scoring/rms_util.hh:176
C++ signature :
bool is_ligand_heavyatom_residues(core::conformation::Residue,core::conformation::Residue,unsigned long)
|
is_nbr_atom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:207
C++ signature :
bool is_nbr_atom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_non_peptide_heavy_atom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
Return true if the pose residues and atoms specified are non-peptide heavy atoms.
C++ signature :
bool is_non_peptide_heavy_atom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_polymer_heavyatom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:161
C++ signature :
bool is_polymer_heavyatom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_protein_CA( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
///////////////////////////////////////////////////////////////////////////
C++ signature :
bool is_protein_CA(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_protein_CA_or_CB( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:129
C++ signature :
bool is_protein_CA_or_CB(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_protein_backbone( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:137
C++ signature :
bool is_protein_backbone(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_protein_backbone_including_O( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:145
C++ signature :
bool is_protein_backbone_including_O(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_protein_sidechain_heavyatom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:153
C++ signature :
bool is_protein_sidechain_heavyatom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
is_scatom( (Pose)pose1, (Pose), (int)resno, (int)atomno) -> bool :
core/scoring/rms_util.hh:199
C++ signature :
bool is_scatom(core::pose::Pose,core::pose::Pose,unsigned long,unsigned long)
|
name_from_score_type( (ScoreType)score_type) -> str :
Returns the name of the ScoreType <score_type>
example(s):
name_from_score_type(fa_sol)
See also:
ScoreFunction
ScoreType
Energies
Energies.residue_total_energies
score_type_from_name
C++ signature :
std::string name_from_score_type(core::scoring::ScoreType)
|
native_CA_gdtmm( (Pose)native_pose, (Pose)pose) -> float :
core/scoring/rms_util.hh:56
C++ signature :
double native_CA_gdtmm(core::pose::Pose,core::pose::Pose)
|
native_CA_rmsd( (Pose)native_pose, (Pose)pose) -> float :
core/scoring/rms_util.hh:54
C++ signature :
double native_CA_rmsd(core::pose::Pose,core::pose::Pose)
|
nbr_atom_rmsd( (Pose)pose1, (Pose)pose2) -> float :
core/scoring/rms_util.hh:362
C++ signature :
double nbr_atom_rmsd(core::pose::Pose,core::pose::Pose)
|
non_peptide_heavy_atom_RMSD( (Pose)pose1, (Pose)pose2) -> float :
///////////////////////////////////////////////////////////////////////////
Return the RMSD of the non-peptide heavy atoms of two poses.
C++ signature :
double non_peptide_heavy_atom_RMSD(core::pose::Pose,core::pose::Pose)
|
nonconst_MembraneEmbed_from_pose( (Pose)pose) -> MembraneEmbed :
Add Non Const Membrane Embedding to the pose cache
C++ signature :
core::scoring::MembraneEmbed {lvalue} nonconst_MembraneEmbed_from_pose(core::pose::Pose {lvalue})
|
nonconst_MembraneTopology_from_pose( (Pose)pose) -> MembraneTopology :
core/scoring/MembraneTopology.hh:263
C++ signature :
core::scoring::MembraneTopology {lvalue} nonconst_MembraneTopology_from_pose(core::pose::Pose {lvalue})
|
nonconst_Membrane_FAEmbed_from_pose( (Pose)) -> Membrane_FAEmbed :
Grab Const MP Fa embedding data from the pose cache
C++ signature :
core::scoring::Membrane_FAEmbed {lvalue} nonconst_Membrane_FAEmbed_from_pose(core::pose::Pose {lvalue})
|
normalizing_area( (str)res) -> float :
core/scoring/sasa.hh:59
C++ signature :
double normalizing_area(char)
|
residue_sc_rmsd_no_super( (Residue)res1, (Residue)res2 [, (bool)fxnal_group_only=False]) -> float :
utility function to calculate per-residue sidechain rmsd without superposition
C++ signature :
double residue_sc_rmsd_no_super(boost::shared_ptr<core::conformation::Residue const>,boost::shared_ptr<core::conformation::Residue const> [,bool=False])
|
retrieve_CSA_from_pose( (Pose)) -> ChemicalShiftAnisotropy :
core/scoring/ChemicalShiftAnisotropy.hh:34
C++ signature :
boost::shared_ptr<core::scoring::ChemicalShiftAnisotropy const> retrieve_CSA_from_pose(core::pose::Pose)
retrieve_CSA_from_pose( (Pose)) -> ChemicalShiftAnisotropy :
core/scoring/ChemicalShiftAnisotropy.hh:33
C++ signature :
boost::shared_ptr<core::scoring::ChemicalShiftAnisotropy> retrieve_CSA_from_pose(core::pose::Pose {lvalue})
|
retrieve_DC_from_pose( (Pose)) -> DipolarCoupling :
core/scoring/DipolarCoupling.hh:34
C++ signature :
boost::shared_ptr<core::scoring::DipolarCoupling const> retrieve_DC_from_pose(core::pose::Pose)
retrieve_DC_from_pose( (Pose)) -> DipolarCoupling :
core/scoring/DipolarCoupling.hh:33
C++ signature :
boost::shared_ptr<core::scoring::DipolarCoupling> retrieve_DC_from_pose(core::pose::Pose {lvalue})
|
retrieve_RDC_ROHL_from_pose( (Pose)) -> ResidualDipolarCoupling_Rohl :
core/scoring/ResidualDipolarCoupling_Rohl.hh:32
C++ signature :
boost::shared_ptr<core::scoring::ResidualDipolarCoupling_Rohl const> retrieve_RDC_ROHL_from_pose(core::pose::Pose)
retrieve_RDC_ROHL_from_pose( (Pose)) -> ResidualDipolarCoupling_Rohl :
core/scoring/ResidualDipolarCoupling_Rohl.hh:31
C++ signature :
boost::shared_ptr<core::scoring::ResidualDipolarCoupling_Rohl> retrieve_RDC_ROHL_from_pose(core::pose::Pose {lvalue})
|
retrieve_RDC_from_pose( (Pose)) -> ResidualDipolarCoupling :
core/scoring/ResidualDipolarCoupling.hh:32
C++ signature :
boost::shared_ptr<core::scoring::ResidualDipolarCoupling const> retrieve_RDC_from_pose(core::pose::Pose)
retrieve_RDC_from_pose( (Pose)) -> ResidualDipolarCoupling :
core/scoring/ResidualDipolarCoupling.hh:31
C++ signature :
boost::shared_ptr<core::scoring::ResidualDipolarCoupling> retrieve_RDC_from_pose(core::pose::Pose {lvalue})
|
rms_at_all_corresponding_atoms( (Pose)mod_pose, (Pose)ref_pose, (object)atom_id_map) -> float :
core/scoring/rms_util.hh:560
C++ signature :
double rms_at_all_corresponding_atoms(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > >)
|
rms_at_corresponding_atoms( (Pose)mod_pose, (Pose)ref_pose, (object)atom_id_map, (vector1_Size)calc_rms_res) -> float :
core/scoring/rms_util.hh:568
C++ signature :
double rms_at_corresponding_atoms(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > >,utility::vector1<unsigned long, std::allocator<unsigned long> >)
rms_at_corresponding_atoms( (Pose)mod_pose, (Pose)ref_pose, (object)atom_id_map) -> float :
core/scoring/rms_util.hh:553
C++ signature :
double rms_at_corresponding_atoms(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > >)
|
rms_at_corresponding_atoms_no_super( (Pose)mod_pose, (Pose)ref_pose, (object)atom_id_map, (vector1_Size)calc_rms_res) -> float :
core/scoring/rms_util.hh:582
C++ signature :
double rms_at_corresponding_atoms_no_super(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > >,utility::vector1<unsigned long, std::allocator<unsigned long> >)
rms_at_corresponding_atoms_no_super( (Pose)mod_pose, (Pose)ref_pose, (object)atom_id_map) -> float :
core/scoring/rms_util.hh:574
C++ signature :
double rms_at_corresponding_atoms_no_super(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > >)
|
rms_at_corresponding_heavy_atoms( (Pose)mod_pose, (Pose)ref_pose) -> float :
core/scoring/rms_util.hh:590
C++ signature :
double rms_at_corresponding_heavy_atoms(core::pose::Pose,core::pose::Pose)
|
score_type_from_name( (str)name) -> ScoreType :
Returns the ScoreType titled <name>
example(s):
score_type_from_name("fa_sol")
See also:
ScoreFunction
ScoreType
Energies
Energies.residue_total_energies
name_from_score_type
C++ signature :
core::scoring::ScoreType score_type_from_name(std::string)
|
setup_matching_CA_atoms( (Pose)pose1, (Pose)pose2, (object)atom_id_map) -> None :
core/scoring/rms_util.hh:600
C++ signature :
void setup_matching_CA_atoms(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > > {lvalue})
|
setup_matching_atoms_with_given_names( (Pose)pose1, (Pose)pose2, (vector1_string)atom_names_to_find, (object)atom_id_map) -> None :
core/scoring/rms_util.hh:609
C++ signature :
void setup_matching_atoms_with_given_names(core::pose::Pose,core::pose::Pose,utility::vector1<std::string, std::allocator<std::string> >,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > > {lvalue})
|
setup_matching_heavy_atoms( (Pose)pose1, (Pose)pose2, (object)atom_id_map) -> None :
core/scoring/rms_util.hh:585
C++ signature :
void setup_matching_heavy_atoms(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > > {lvalue})
|
setup_matching_protein_backbone_heavy_atoms( (Pose)pose1, (Pose)pose2, (object)atom_id_map) -> None :
core/scoring/rms_util.hh:604
C++ signature :
void setup_matching_protein_backbone_heavy_atoms(core::pose::Pose,core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > > {lvalue})
|
store_CSA_in_pose( (__CPP_ChemicalShiftAnisotropy__), (Pose)) -> None :
core/scoring/ChemicalShiftAnisotropy.hh:32
C++ signature :
void store_CSA_in_pose(boost::shared_ptr<core::scoring::ChemicalShiftAnisotropy>,core::pose::Pose {lvalue})
|
store_DC_in_pose( (__CPP_DipolarCoupling__), (Pose)) -> None :
core/scoring/DipolarCoupling.hh:32
C++ signature :
void store_DC_in_pose(boost::shared_ptr<core::scoring::DipolarCoupling>,core::pose::Pose {lvalue})
|
store_RDC_ROHL_in_pose( (__CPP_ResidualDipolarCoupling_Rohl__), (Pose)) -> None :
core/scoring/ResidualDipolarCoupling_Rohl.hh:30
C++ signature :
void store_RDC_ROHL_in_pose(boost::shared_ptr<core::scoring::ResidualDipolarCoupling_Rohl>,core::pose::Pose {lvalue})
|
store_RDC_in_pose( (__CPP_ResidualDipolarCoupling__), (Pose)) -> None :
core/scoring/ResidualDipolarCoupling.hh:30
C++ signature :
void store_RDC_in_pose(boost::shared_ptr<core::scoring::ResidualDipolarCoupling>,core::pose::Pose {lvalue})
|
superimpose_pose( (Pose)mod_pose, (MiniPose)ref_pose, (AtomID_Map_T_core_id_AtomID_T)atom_map) -> float :
Superimpose mod_pose onto ref_pose using the mapping of atoms from
mod_pose to ref_pose given by atom_map
C++ signature :
double superimpose_pose(core::pose::Pose {lvalue},core::pose::MiniPose,core::id::AtomID_Map<core::id::AtomID>)
superimpose_pose( (Pose)mod_pose, (Pose)ref_pose, (AtomID_Map_T_core_id_AtomID_T)atom_map) -> float :
Superimpose mod_pose onto ref_pose using the mapping of atoms from
mod_pose to ref_pose given by atom_map
C++ signature :
double superimpose_pose(core::pose::Pose {lvalue},core::pose::Pose,core::id::AtomID_Map<core::id::AtomID>)
superimpose_pose( (Pose)mod_pose, (Pose)ref_pose, (object)atom_map) -> float :
Superimpose mod_pose onto ref_pose using the mapping of atoms from
mod_pose to ref_pose given by map< AtomID, AtomID >
C++ signature :
double superimpose_pose(core::pose::Pose {lvalue},core::pose::Pose,std::map<core::id::AtomID, core::id::AtomID, std::less<core::id::AtomID>, std::allocator<std::pair<core::id::AtomID const, core::id::AtomID> > >)
|
xyz_gdtmm( (object)p1a, (object)p2a) -> float :
Calculate gdtmm based on the given sets of xyz coordinates in p1a and p2a.
C++ signature :
double xyz_gdtmm(ObjexxFCL::FArray2D<double>,ObjexxFCL::FArray2D<double>)
xyz_gdtmm( (object)p1a, (object)p2a, (float)m_1_1, (float)m_2_2, (float)m_3_3, (float)m_4_3, (float)m_7_4) -> float :
Calculate gdtmm based on the given sets of xyz coordinates in p1a and p2a.
C++ signature :
double xyz_gdtmm(ObjexxFCL::FArray2D<double>,ObjexxFCL::FArray2D<double>,double {lvalue},double {lvalue},double {lvalue},double {lvalue},double {lvalue})
|
xyz_gdttm( (object)p1a, (object)p2a, (float)gdttm_score, (float)gdtha_score) -> None :
core/scoring/rms_util.hh:502
C++ signature :
void xyz_gdttm(ObjexxFCL::FArray2D<double>,ObjexxFCL::FArray2D<double>,double {lvalue},double {lvalue})
|
xyz_maxsub( (object)p1a, (object)p2a, (int)natoms) -> int :
core/scoring/rms_util.hh:400
C++ signature :
int xyz_maxsub(ObjexxFCL::FArray2D<double>,ObjexxFCL::FArray2D<double>,int)
|
|
|||
CIS_XP
|
CIS_XX
|
FaMPEnvSmooth
|
Hpol_bond_geometry
|
MPNonHelix
|
MPTermini
|
Menv_non_helix
|
Menv_smooth
|
Menv_termini
|
Menv_tm_proj
|
NRAMATABLES
|
PyRosettaEnergy_first
|
PyRosettaEnergy_last
|
PyRosettaTwoBodyContextDependentEnergy_first
|
PyRosettaTwoBodyContextDependentEnergy_last
|
PyRosettaTwoBodyContextIndepenedentEnergy_first
|
PyRosettaTwoBodyContextIndepenedentEnergy_last
|
TRANS_GG
|
TRANS_GP
|
TRANS_GV
|
TRANS_GX
|
TRANS_PG
|
TRANS_PP
|
TRANS_PV
|
TRANS_PX
|
TRANS_VG
|
TRANS_VP
|
TRANS_VV
|
TRANS_VX
|
TRANS_XG
|
TRANS_XP
|
TRANS_XV
|
TRANS_XX
|
angle_constraint
|
atom_pair_constraint
|
backbone_stub_constraint
|
backbone_stub_linear_constraint
|
big_bin_constraint
|
bond_geometry
|
cart_bonded
|
cart_bonded_angle
|
cart_bonded_length
|
cart_bonded_torsion
|
cbeta_smooth
|
cen_env_smooth
|
cen_pair_smooth
|
cen_rot_cbeta
|
cen_rot_dun
|
cen_rot_env
|
cen_rot_pair
|
cen_rot_pair_ang
|
cen_rot_pair_dih
|
cenpack_smooth
|
centroid_neighbor_graph
|
ch_bond_bb_bb
|
ch_bond_bb_sc
|
ch_bond_sc_sc
|
chainbreak
|
coarse_beadlj
|
coarse_fa_atr
|
coarse_fa_rep
|
coarse_fa_sol
|
constant_constraint
|
coordinate_constraint
|
cst_res_data
|
cst_respair_data
|
custom_atom_pair
|
dihedral_constraint
|
distance_chainbreak
|
dna_base_distance
|
dna_bb_torsion
|
dna_sugar_close
|
dock_ens_conf
|
dof_constraint
|
dslf_ca_dih
|
dslf_cbs_ds
|
dslf_cs_ang
|
dslf_fa13
|
dslf_ss_dih
|
dslf_ss_dst
|
dslfc_ang
|
dslfc_bb_dih
|
dslfc_cb_dih
|
dslfc_cb_dst
|
dslfc_cen_dst
|
dslfc_rot
|
dslfc_trans
|
dummy_score_type
|
dunbrack_constraint
|
elec_dens_atomwise
|
elec_dens_fast
|
elec_dens_whole_structure_allatom
|
elec_dens_whole_structure_ca
|
elec_dens_window
|
elec_pair_nblist
|
end_of_score_type_enumeration
|
envsmooth
|
etab_classic_intrares_pair_nblist
|
etab_classic_intrares_single_nblist
|
etab_pair_nblist
|
etab_single_nblist
|
fa_atr_dummy
|
fa_cust_pair_dist
|
fa_custom_pair_dist_data
|
fa_dslf_respair_data
|
fa_dun_dev
|
fa_dun_rot
|
fa_dun_semi
|
fa_elec_aro_all
|
fa_elec_aro_aro
|
fa_elec_bb_bb
|
fa_elec_bb_sc
|
fa_elec_rna_base_base
|
fa_elec_rna_base_base_fast
|
fa_elec_rna_phos_base
|
fa_elec_rna_phos_base_fast
|
fa_elec_rna_phos_phos
|
fa_elec_rna_phos_phos_fast
|
fa_elec_rna_phos_sugr
|
fa_elec_rna_phos_sugr_fast
|
fa_elec_rna_sugr_base
|
fa_elec_rna_sugr_base_fast
|
fa_elec_rna_sugr_sugr
|
fa_elec_rna_sugr_sugr_fast
|
fa_elec_sc_sc
|
fa_grpelec
|
fa_intra_RNA_base_phos_atr
|
fa_intra_RNA_base_phos_rep
|
fa_intra_RNA_base_phos_sol
|
fa_intra_atr
|
fa_intra_atr_xover4
|
fa_intra_rep
|
fa_intra_rep_xover4
|
fa_intra_sol
|
fa_intra_sol_xover4
|
fa_mbsolv
|
fa_pair_aro_aro
|
fa_pair_aro_pol
|
fa_pair_pol_pol
|
fa_rep_dummy
|
fa_sol_dummy
|
fa_stack_aro
|
fa_stack_lower
|
fa_stack_upper
|
facts_elec
|
facts_sasa
|
facts_solv
|
fiberdiffraction
|
fiberdiffractiondens
|
free_2HOprime
|
free_base
|
free_side_chain
|
free_suite
|
geom_sol_fast
|
geom_sol_fast_intra_RNA
|
geom_sol_intra_RNA
|
geom_solv_pair_nblist
|
goap_angle
|
goap_dist
|
h2o_hbond
|
h2o_intra
|
hbond_bb_sc
|
hbond_intra
|
hbond_lr_bb
|
hbond_lr_bb_sc
|
hbond_res_data
|
hbond_respair_data
|
hbond_sr_bb
|
hbond_sr_bb_sc
|
holes_decoy
|
holes_min
|
holes_min_mean
|
holes_resl
|
hybrid_vdw
|
interchain_contact
|
interchain_env
|
interchain_pair
|
interchain_vdw
|
interface_dd_pair
|
linear_chainbreak
|
lk_PolarNonPolar_pair_nblist
|
lk_ball_iso
|
lk_ball_wtd
|
lk_costheta
|
lk_nonpolar
|
lk_nonpolar_intra_RNA
|
lk_polar_intra_RNA
|
lkb_res_data
|
lkb_respair_data
|
loop_close
|
metalhash_constraint
|
missing_res
|
mm_lj_inter_atr
|
mm_lj_inter_rep
|
mm_lj_intra_atr
|
mm_lj_intra_rep
|
mm_stretch
|
n_ci_2b_score_types
|
n_min_pair_data
|
n_min_single_data
|
n_score_types
|
n_shortranged_2b_score_types
|
natbias_hh
|
natbias_hs
|
natbias_ss
|
natbias_stwist
|
neigh_count
|
neigh_vect
|
neigh_vect_raw
|
nmer_pssm
|
num_context_graph_types
|
occ_sol_exact
|
occ_sol_fitted
|
occ_sol_fitted_onebody
|
omega2b_offset
|
orbitals_hpol_bb
|
other_pose
|
overlap_chainbreak
|
p_aa_pp_offset
|
pack_stat
|
patterson_cc
|
pci_cation_pi
|
pci_hbond
|
pci_pi_pi
|
pci_salt_bridge
|
pddf_score
|
peptide_bond
|
pocket_constraint
|
pro_close
|
protein_torsion_end
|
rama2b_offset
|
rdc_segments
|
res_type_constraint
|
res_type_linking_constraint
|
rna_backbone_backbone
|
rna_base_axis
|
rna_base_axis_pairwise
|
rna_base_backbone
|
rna_base_pair
|
rna_base_pair_pairwise
|
rna_base_stack
|
rna_base_stack_axis
|
rna_base_stack_axis_pairwise
|
rna_base_stack_pairwise
|
rna_base_stagger
|
rna_base_stagger_pairwise
|
rna_bond_geometry
|
rna_bulge
|
rna_chem_map
|
rna_chem_map_lores
|
rna_chem_shift
|
rna_data_backbone
|
rna_data_base
|
rna_fa_atr_base
|
rna_fa_rep_base
|
rna_jr_suite
|
rna_mg_indirect
|
rna_mg_rep
|
rna_repulsive
|
rna_sugar_close
|
rna_suite
|
rna_torsion
|
rna_torsion_sc
|
saxs_cen_score
|
saxs_fa_score
|
saxs_score
|
seqdep_ref
|
site_constraint
|
special_rot
|
stack_elec
|
stack_elec_base_base
|
stack_elec_base_bb
|
suiteness_bonus
|
symE_bonus
|
ten_A_neighbor_graph
|
total_score
|
twelve_A_neighbor_graph
|
xtal_rfree
|
xtal_rwork
|
yhh_planarity
|
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