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Rosetta Protocols
2014.35
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Enumerations | |
enum | Operation { SUM, PRODUCT, NORMALIZED_SUM, MAX, MIN, SUBTRACT, ABS, BOOLEAN_OR, XOR } |
Variables | |
static basic::Tracer | TR ("protocols.simple_filters.AlaScan") |
static basic::Tracer | TR ("protocols.filters.AtomicContactFilter") |
static basic::Tracer | TR ("protocols.filters.AtomicDistanceFilter") |
static basic::Tracer | TR ("protocols.simple_filters.AveragePathLengthFilter") |
static basic::Tracer | buried_unsat_hbond_filter_tracer ("protocols.simple_filters.BuriedUnsatHbondFilter") |
static basic::Tracer | TR ("protocols.simple_filters.CircularPermutationFinder") |
static basic::Tracer | TR ("protocols.simple_filters.DdgFilter") |
static basic::Tracer | TR ("protocols.simple_filters.DeltaFilter") |
static basic::Tracer | TR ("protocols.simple_filters.DisulfideEntropyFilter") |
static basic::Tracer | energy_per_residue_filter_tracer ("protocols.simple_filters.EnergyPerResidueFilter") |
static basic::Tracer | TR ("protocols.simple_filters.ExpiryFilter") |
static basic::Tracer | TR ("protocols.simple_filters.FileExistFilter") |
static basic::Tracer | TR ("protocols.simple_filters.FileRemoveFilter") |
static basic::Tracer | TR ("protocols.simple_filters.GeometryFilter") |
static basic::Tracer | TR ("protocols.simple_filters.InterfaceBindingEnergyDensityFilter") |
static basic::Tracer | TR ("protocols.simple_filters.InterfaceSasaFilter") |
static basic::Tracer | TR ("protocols.simple_filters.MultipleSigmoids") |
static basic::Tracer | TR ("protocols.simple_filters.MutationsFilter") |
static basic::Tracer | neighbor_type_filter_tracer ("protocols.simple_filters.NeighborTypeFilter") |
static basic::Tracer | TR ("protocols.simple_filters.NetChargeFilter") |
static basic::Tracer | TR ("protocols.simple_filters.NMerPSSMEnergyFilter") |
static basic::Tracer | TR ("protocols.simple_filters.NMerSVMEnergyFilter") |
static basic::Tracer | TR ("protocols.simple_filters.NonSequentialNeighborsFilter") |
static basic::Tracer | TR ("protocols.simple_filters.Operator") |
static basic::Tracer | TR ("protocols.simple_filters.PoseComment") |
static basic::Tracer | TR ("protocols.filters.PoseInfoFilter") |
static core::scoring::methods::ResidualDipolarCouplingEnergy | energy_evaluator |
static basic::Tracer | TR ("protocols.simple_filters.RelativePoseFilter") |
static basic::Tracer | TR ("protocols.simple_filters.ReportFilter") |
static basic::Tracer | residue_burial_filter_tracer ("protocols.simple_filters.ResidueBurialFilter") |
static basic::Tracer | TR ("protocols.simple_filters.ResidueCountFilter") |
static basic::Tracer | residue_distance_filter_tracer ("protocols.simple_filters.ResidueDistanceFilter") |
static basic::Tracer | tr ("protocols.simple_filters.ResidueIEFilter") |
static basic::Tracer | TR ("protocols.simple_filters.ResidueSetChainEnergyFilter") |
static basic::Tracer | residues_in_interface_tracer ("protocols.simple_filters.ResiduesInInterfaceFilter") |
static basic::Tracer | TR ("protocols.simple_filters.RotamerBoltzmannWeight") |
static basic::Tracer | TR ("protocols.filters.SavePoseConstraintToFileFilter") |
static basic::Tracer | score_type_filter_tracer ("protocols.simple_filters.ScoreTypeFilter") |
static basic::Tracer | sidechain_rmsd_filter_tracer ("protocols.simple_filters.SidechainRmsdFilter") |
static basic::Tracer | TR ("protocols.simple_filters.Sigmoid") |
static basic::Tracer | TR ("protocols.simple_filters.SSMotifFinder") |
static basic::Tracer | TR ("protocols.simple_filters.StemFinder") |
static basic::Tracer | TR ("protocols.simple_filters.SymmetricMotifFilter") |
static basic::Tracer | TR ("protocols.simple_filters.TaskAwareScoreTypeFilter") |
static basic::Tracer | TR ("protocols.simple_filters.TerminusDistanceFilter") |
static basic::Tracer | TR ("protocols.simple_filters.TotalSasaFilter") |
typedef utility::pointer::owning_ptr< AveragePathLengthFilter const > protocols::simple_filters::AveragePathLengthFilterCOP |
typedef utility::pointer::owning_ptr< AveragePathLengthFilter > protocols::simple_filters::AveragePathLengthFilterOP |
typedef utility::pointer::owning_ptr< BuriedRegionsFilter const > protocols::simple_filters::BuriedRegionsFilterCOP |
typedef utility::pointer::owning_ptr< BuriedRegionsFilter > protocols::simple_filters::BuriedRegionsFilterOP |
typedef utility::pointer::owning_ptr< CircularPermutationFinder const > protocols::simple_filters::CircularPermutationFinderCOP |
typedef utility::pointer::owning_ptr< CircularPermutationFinder > protocols::simple_filters::CircularPermutationFinderOP |
typedef utility::pointer::owning_ptr< ConservedPosMutationFilter const > protocols::simple_filters::ConservedPosMutationFilterCOP |
typedef utility::pointer::owning_ptr< ConservedPosMutationFilter > protocols::simple_filters::ConservedPosMutationFilterOP |
typedef utility::pointer::owning_ptr< ConstraintScoreCutoffFilter const > protocols::simple_filters::ConstraintScoreCutoffFilterCOP |
typedef utility::pointer::owning_ptr< ConstraintScoreCutoffFilter > protocols::simple_filters::ConstraintScoreCutoffFilterOP |
typedef utility::pointer::owning_ptr< DisulfideEntropyFilter const > protocols::simple_filters::DisulfideEntropyFilterCOP |
typedef utility::pointer::owning_ptr< DisulfideEntropyFilter > protocols::simple_filters::DisulfideEntropyFilterOP |
typedef utility::pointer::owning_ptr< DomainInterfaceFilter const > protocols::simple_filters::DomainInterfaceFilterCOP |
typedef utility::pointer::owning_ptr< DomainInterfaceFilter > protocols::simple_filters::DomainInterfaceFilterOP |
typedef utility::pointer::owning_ptr< EvaluatedTrialMover > protocols::simple_filters::EvaluatedTrialMoverOP |
typedef utility::pointer::owning_ptr< InterfaceBindingEnergyDensityFilter const > protocols::simple_filters::InterfaceBindingEnergyDensityFilterCOP |
typedef utility::pointer::owning_ptr< InterfaceBindingEnergyDensityFilter > protocols::simple_filters::InterfaceBindingEnergyDensityFilterOP |
typedef utility::pointer::owning_ptr< InterfaceSasaFilter const > protocols::simple_filters::InterfaceSasaFilterCOP |
typedef utility::pointer::owning_ptr< InterfaceSasaFilter > protocols::simple_filters::InterfaceSasaFilterOP |
typedef utility::pointer::owning_ptr< MultipleSigmoids const > protocols::simple_filters::MultipleSigmoidsCOP |
typedef utility::pointer::owning_ptr< MultipleSigmoids > protocols::simple_filters::MultipleSigmoidsOP |
typedef utility::pointer::owning_ptr< MutationsFilter const > protocols::simple_filters::MutationsFilterCOP |
typedef utility::pointer::owning_ptr< MutationsFilter > protocols::simple_filters::MutationsFilterOP |
typedef utility::pointer::owning_ptr< PackerNeighborGraphFilter const > protocols::simple_filters::PackerNeighborGraphFilterCOP |
typedef utility::pointer::owning_ptr< PackerNeighborGraphFilter > protocols::simple_filters::PackerNeighborGraphFilterOP |
typedef utility::pointer::owning_ptr< PackStatFilter const > protocols::simple_filters::PackStatFilterCOP |
typedef utility::pointer::owning_ptr< PDDFScoreFilter const > protocols::simple_filters::PDDFScoreFilterCOP |
typedef utility::pointer::owning_ptr< PDDFScoreFilter > protocols::simple_filters::PDDFScoreFilterOP |
typedef utility::pointer::owning_ptr< RelativePoseFilter const > protocols::simple_filters::RelativePoseFilterCOP |
typedef utility::pointer::owning_ptr< RelativePoseFilter > protocols::simple_filters::RelativePoseFilterOP |
typedef utility::pointer::owning_ptr< ResidueIEFilter const > protocols::simple_filters::ResidueIEFilterCOP |
typedef utility::pointer::owning_ptr< ResidueIEFilter > protocols::simple_filters::ResidueIEFilterOP |
typedef utility::pointer::owning_ptr< RotamerBoltzmannWeight const > protocols::simple_filters::RotamerBoltzmannWeightFilterCOP |
typedef utility::pointer::owning_ptr< RotamerBoltzmannWeight > protocols::simple_filters::RotamerBoltzmannWeightFilterOP |
typedef utility::pointer::owning_ptr< SaveResfileToDiskFilter const > protocols::simple_filters::SaveResfileToDiskFilterCOP |
typedef utility::pointer::owning_ptr< SaveResfileToDiskFilter > protocols::simple_filters::SaveResfileToDiskFilterOP |
typedef utility::pointer::owning_ptr< SAXSScoreFilter const > protocols::simple_filters::SAXSScoreFilterCOP |
typedef utility::pointer::owning_ptr< SAXSScoreFilter > protocols::simple_filters::SAXSScoreFilterOP |
typedef utility::pointer::owning_ptr< ScoreCutoffFilter const > protocols::simple_filters::ScoreCutoffFilterCOP |
typedef utility::pointer::owning_ptr< ScoreCutoffFilter > protocols::simple_filters::ScoreCutoffFilterOP |
typedef utility::pointer::owning_ptr< SelectRDC_Evaluator const > protocols::simple_filters::SelectRDC_EvaluatorCOP |
typedef utility::pointer::owning_ptr< SelectRDC_Evaluator > protocols::simple_filters::SelectRDC_EvaluatorOP |
typedef utility::pointer::owning_ptr< ShapeComplementarityFilter const > protocols::simple_filters::ShapeComplementarityFilterCOP |
typedef utility::pointer::owning_ptr< ShapeComplementarityFilter > protocols::simple_filters::ShapeComplementarityFilterOP |
typedef utility::pointer::owning_ptr< SSMotifFinder const > protocols::simple_filters::SSMotifFinderCOP |
typedef utility::pointer::owning_ptr< StructuralSimilarityEvaluator const > protocols::simple_filters::StructuralSimilarityEvaluatorCOP |
typedef utility::pointer::owning_ptr< StructuralSimilarityEvaluator > protocols::simple_filters::StructuralSimilarityEvaluatorOP |
typedef utility::pointer::owning_ptr< TaskAwareAlaScan const > protocols::simple_filters::TaskAwareAlaScanCOP |
typedef utility::pointer::owning_ptr< TaskAwareAlaScan > protocols::simple_filters::TaskAwareAlaScanOP |
typedef utility::pointer::owning_ptr< TaskAwareSASAFilter const > protocols::simple_filters::TaskAwareSASAFilterCOP |
typedef utility::pointer::owning_ptr< TaskAwareSASAFilter > protocols::simple_filters::TaskAwareSASAFilterOP |
typedef utility::pointer::owning_ptr< TaskAwareScoreTypeFilter const > protocols::simple_filters::TaskAwareScoreTypeFilterCOP |
typedef utility::pointer::owning_ptr< TaskAwareScoreTypeFilter > protocols::simple_filters::TaskAwareScoreTypeFilterOP |
typedef utility::pointer::owning_ptr< TotalSasaFilter const > protocols::simple_filters::TotalSasaFilterCOP |
typedef utility::pointer::owning_ptr< TotalSasaFilter > protocols::simple_filters::TotalSasaFilterOP |
core::Real protocols::simple_filters::atom_distance | ( | core::conformation::Residue const & | r1, |
std::string const | a1, | ||
core::conformation::Residue const & | r2, | ||
std::string const | a2 | ||
) |
compute the atomic distance between two atoms on two residues
References numeric::xyzVector< class >::distance(), and core::conformation::Residue::xyz().
Referenced by protocols::simple_filters::CircularPermutationFinder::circular_permutation(), and res_rmsd().
core::Real protocols::simple_filters::atom_distance | ( | core::pose::Pose const & | p1, |
core::Size const | r1, | ||
std::string const | a1, | ||
core::pose::Pose const & | p2, | ||
core::Size const | r2, | ||
std::string const | a2 | ||
) |
vector< numeric::xyzVector< core::Real > > protocols::simple_filters::bb_coords | ( | core::pose::Pose const & | pose, |
utility::vector1< core::Size > const & | positions | ||
) |
core::Real protocols::simple_filters::coord_rmsd | ( | vector< numeric::xyzVector< core::Real > > const & | c1, |
vector< numeric::xyzVector< core::Real > > const & | c2 | ||
) |
References distance_squared(), and runtime_assert.
utility::vector1< numeric::xyzVector< core::Real > > protocols::simple_filters::coords | ( | core::pose::Pose const & | pose, |
utility::vector1< core::Size > const | positions | ||
) |
References core::pose::Pose::residue(), and core::conformation::Residue::xyz().
Referenced by protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::add(), protocols::rigid::RollMover::apply(), protocols::matdes::SymDofMover::apply(), protocols::simple_moves::Tumble::apply(), protocols::hybridization::CartesianHybridize::apply_frag(), protocols::hybridization::CartesianHybridize::apply_frame(), protocols::canonical_sampling::mc_convergence_checks::DataBuffer::array_to_farray(), bb_coords(), protocols::simple_moves::Ca_coord(), protocols::simple_moves::Ca_coords(), protocols::toolbox::CA_superimpose(), protocols::design_opt::calc_pareto_front(), protocols::matdes::calc_pareto_front(), protocols::design_opt::calc_pareto_front_nbrs(), protocols::matdes::calc_pareto_front_nbrs(), protocols::environment::com_calc(), protocols::loops::loop_closure::ccd::compute_single_direction_deviation(), protocols::ligand_docking::Transform::dump_conformer(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate(), protocols::canonical_sampling::mc_convergence_checks::Pool_RMSD::evaluate_and_add(), protocols::canonical_sampling::mc_convergence_checks::DataBuffer::farray_to_array(), protocols::frag_picker::scores::FragmentChunkCrms::fill_bb_coords(), protocols::frag_picker::scores::FragmentDME::fill_CA_coords(), protocols::frag_picker::scores::FragmentCrmsd::fill_CA_coords(), protocols::frag_picker::scores::FragmentCrmsdResDepth::fill_CA_coords(), protocols::toolbox::fill_CA_coords(), protocols::frag_picker::scores::FragmentAllAtomCrmsd::fill_coords(), protocols::toolbox::fit_centered_coords(), protocols::loops::loop_closure::ccd::get_deviation(), protocols::toolbox::match_enzdes_util::LigandConformer::get_global_coords_as_FArray2D(), protocols::loops::loop_closure::ccd::get_overlap_pos(), protocols::toolbox::InteratomicVarianceMatrix::init(), protocols::loops::loop_closure::ccd::load_coords_and_torsions(), protocols::match::downstream::SecondaryMatcherToDownstreamResidue::prepare_for_hit_generation_at_target_build_point(), protocols::qsar::scoring_grid::ShapeGrid::refresh(), protocols::features::ProteinResidueConformationFeatures::report_features(), protocols::features::ResidueConformationFeatures::report_features(), protocols::qsar::scoring_grid::ShapeGrid::score(), protocols::match::downstream::TargetRotamerCoords::set_coords_for_clash_check(), protocols::features::ResidueConformationFeatures::set_coords_for_residue(), protocols::features::ResidueConformationFeatures::set_coords_for_residue_from_compact_schema(), protocols::features::ProteinResidueConformationFeatures::set_coords_for_residue_from_compact_schema(), protocols::features::ProteinResidueConformationFeatures::set_coords_for_residues(), protocols::topology_broker::CoordConstraintClaimer::superimpose(), protocols::simple_filters::SSMotifFinder::superimpose_pose_on_template(), protocols::toolbox::superposition_transform(), protocols::match::output::SingleDownstreamResidueWriter::write_downstream_coordinates(), and protocols::qsar::RenderGridsToKinemage::write_points().
core::Real protocols::simple_filters::determinant | ( | bnu::matrix< core::Real > const & | m | ) |
int protocols::simple_filters::determinant_sign | ( | const bnu::permutation_matrix< std::size_t > & | pm | ) |
References size().
Referenced by determinant().
std::string protocols::simple_filters::dssp | ( | core::pose::Pose const & | pose | ) |
potentially useful utility functions
read dssp for a pose and return a string
References core::scoring::dssp::Dssp::dssp_reduced(), and core::scoring::dssp::Dssp::get_dssp_secstruct().
Referenced by protocols::seeded_abinitio::GrowPeptides::apply(), protocols::simple_filters::StemFinder::apply(), protocols::seeded_abinitio::SegmentHybridizer::apply(), protocols::moves::DsspMover::apply(), protocols::protein_interface_design::movers::LoopMoverFromCommandLine::apply(), protocols::protein_interface_design::movers::LoopRemodel::apply(), protocols::flxbb::InterlockAroma::apply(), protocols::fldsgn::filters::SheetTopologyFilter::apply(), protocols::fldsgn::filters::HelixPairingFilter::apply(), protocols::fldsgn::potentials::SetSecStructEnergies::apply(), protocols::fldsgn::filters::HSSTripletFilter::apply(), protocols::flxbb::LayerDesignOperation::apply(), protocols::fldsgn::BluePrintBDR::apply(), protocols::forge::components::BDR::apply(), protocols::forge::remodel::RemodelMover::apply(), protocols::jumping::assign_ss_dssp(), protocols::protein_interface_design::best_cutpoint(), protocols::analysis::InterfaceAnalyzerMover::calc_per_residue_and_regional_data(), protocols::surface_docking::FullatomRelaxMover::calc_secondary_struct(), protocols::surface_docking::SurfaceDockingProtocol::calc_secondary_structure(), protocols::surface_docking::SurfaceDockingProtocol::calc_secondary_structure_with_surface(), protocols::fldsgn::topology::calc_strand_pairing_set(), protocols::seeded_abinitio::SegmentHybridizer::check_and_create_fragments(), protocols::forge::remodel::RemodelData::collectInsertionPose(), protocols::protein_interface_design::filters::AtomicContactCountFilter::compute(), protocols::denovo_design::filters::ExposedHydrophobicsFilter::compute(), protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter::compute(), protocols::fldsgn::filters::SecondaryStructureCountFilter::compute(), protocols::fldsgn::filters::HelixPairingFilter::compute(), protocols::fldsgn::filters::InterlockingAromaFilter::compute(), protocols::toolbox::SelectResiduesByLayer::compute(), protocols::flxbb::constraints_sheet(), protocols::hybridization::create_fragment_set(), protocols::motif_hash::dump_matching_motifs(), protocols::toolbox::pose_metric_calculators::RotamerRecovery::get_ss(), protocols::features::SmotifFeatures::get_ss_segments(), protocols::motif_hash::harvest_motifs(), protocols::loops::loopfinder(), protocols::seeded_abinitio::DefineMovableLoops::parse_my_tag(), protocols::seeded_abinitio::CloseFold::parse_my_tag(), positions_in_secstruct(), protocols::features::strand_assembly::SandwichFeatures::report_features(), protocols::sic_dock::XfoxmScore::score(), protocols::normalmode::NormalMode::set_harmonic_constant_map(), protocols::fldsgn::BluePrintBDR::set_instruction_blueprint(), protocols::features::SecondaryStructureSegmentFeatures::write_schema_to_db(), protocols::features::ResidueSecondaryStructureFeatures::write_schema_to_db(), and protocols::features::HelixCapFeatures::write_schema_to_db().
boost::dynamic_bitset protocols::simple_filters::get_contact_features | ( | core::pose::Pose const & | pose, |
core::Real const | dist_threshold, | ||
std::string const & | atom_name, | ||
core::Size const | min_seqsep = 12 , |
||
core::Size const | skip_res = 0 |
||
) |
utility::vector1< core::pose::PoseOP > protocols::simple_filters::load_poses | ( | utility::vector1< std::string > const | filenames | ) |
load PDBs into a vector
References core::import_pose::pose_from_pdb(), and TR.
Referenced by protocols::simple_filters::StemFinder::apply().
core::Real protocols::simple_filters::pct_features_in_common | ( | boost::dynamic_bitset<> const & | set1, |
boost::dynamic_bitset<> const & | set2 | ||
) |
Referenced by protocols::simple_filters::ContactMapEvaluator::apply().
utility::vector1< core::Size > protocols::simple_filters::positions_in_secstruct | ( | core::pose::Pose const & | pose | ) |
find helix, sheet positions in dssp
References dssp().
void protocols::simple_filters::print_nmer_svm_energy_data | ( | vector1< nmer_svm_res_data > | nmer_svm_pose_data | ) |
void protocols::simple_filters::quat2R | ( | Quat & | Q, |
numeric::xyzMatrix< core::Real > | R | ||
) |
References protocols::simple_filters::Quat::w, protocols::simple_filters::Quat::x, numeric::xyzMatrix< class >::xx(), numeric::xyzMatrix< class >::xy(), numeric::xyzMatrix< class >::xz(), protocols::simple_filters::Quat::y, numeric::xyzMatrix< class >::yx(), numeric::xyzMatrix< class >::yy(), numeric::xyzMatrix< class >::yz(), protocols::simple_filters::Quat::z, numeric::xyzMatrix< class >::zx(), numeric::xyzMatrix< class >::zy(), and numeric::xyzMatrix< class >::zz().
Referenced by protocols::simple_filters::SymmetricMotifFilter::process_motifs().
void protocols::simple_filters::R2quat | ( | numeric::xyzMatrix< core::Real > | R, |
Quat & | Q | ||
) |
References S, protocols::simple_filters::Quat::w, protocols::simple_filters::Quat::x, numeric::xyzMatrix< class >::xx(), numeric::xyzMatrix< class >::xy(), numeric::xyzMatrix< class >::xz(), protocols::simple_filters::Quat::y, numeric::xyzMatrix< class >::yx(), numeric::xyzMatrix< class >::yy(), numeric::xyzMatrix< class >::yz(), protocols::simple_filters::Quat::z, numeric::xyzMatrix< class >::zx(), numeric::xyzMatrix< class >::zy(), and numeric::xyzMatrix< class >::zz().
Referenced by protocols::simple_filters::SymmetricMotifFilter::process_motifs().
core::Real protocols::simple_filters::res_res_min_distance | ( | core::pose::Pose const & | p1, |
core::Size const | r1, | ||
core::pose::Pose const & | p2, | ||
core::Size const | r2 | ||
) |
find the minimal atom-atom distance between two residues
References core::pose::Pose::conformation(), and core::conformation::Conformation::residue().
Referenced by protocols::simple_filters::StemFinder::apply().
core::Real protocols::simple_filters::res_rmsd | ( | utility::vector1< core::Size > const | pose_res_for_rmsd, |
utility::vector1< core::Size > const | template_res_for_rmsd, | ||
core::pose::Pose const & | copy_pose, | ||
core::pose::Pose const & | template_pose | ||
) |
References atom_distance(), core::pose::Pose::conformation(), r1, r2, core::conformation::Conformation::residue(), rmsd, and runtime_assert.
Referenced by protocols::simple_filters::SSMotifFinder::apply().
core::Real protocols::simple_filters::RMSwrapper | ( | utility::vector1< numeric::xyzVector< core::Real > > | chainA, |
utility::vector1< numeric::xyzVector< core::Real > > | chainB, | ||
numeric::xyzMatrix< core::Real > & | R, | ||
numeric::xyzVector< core::Real > & | preT, | ||
numeric::xyzVector< core::Real > & | postT | ||
) |
References numeric::model_quality::calc_rms_fast(), numeric::model_quality::findUU(), rms, numeric::xyzMatrix< class >::xx(), numeric::xyzMatrix< class >::xy(), numeric::xyzMatrix< class >::xz(), numeric::xyzMatrix< class >::yx(), numeric::xyzMatrix< class >::yy(), numeric::xyzMatrix< class >::yz(), numeric::xyzMatrix< class >::zx(), numeric::xyzMatrix< class >::zy(), and numeric::xyzMatrix< class >::zz().
Referenced by protocols::simple_filters::SymmetricMotifFilter::compute_d2(), and protocols::simple_filters::SymmetricMotifFilter::process_motifs().
core::pose::Pose protocols::simple_filters::rotate_pose | ( | core::pose::Pose const & | pose, |
core::Size const | cut | ||
) |
References create_subpose(), core::pose::Pose::fold_tree(), and core::pose::Pose::total_residue().
Referenced by superimpose_parts().
core::Real protocols::simple_filters::superimpose_parts | ( | vector< numeric::xyzVector< core::Real > > & | ref_coords, |
core::Size const | cut | ||
) |
References protocols::stepwise::sampler::rigid_body::rotate(), and rotation.
Referenced by protocols::simple_filters::CircularPermutationFinder::circular_permutation().
core::Real protocols::simple_filters::superimpose_parts | ( | core::pose::Pose const & | pose, |
utility::vector1< core::Size > const & | vec, | ||
core::Size const | cut | ||
) |
core::Real protocols::simple_filters::superimpose_parts | ( | core::pose::Pose const & | pose, |
core::Size const | cut | ||
) |
void protocols::simple_filters::write_to_file | ( | std::string const | filename, |
core::pose::Pose const & | pose, | ||
core::Size const | interface_begin, | ||
core::Size const | cut, | ||
core::Size const | interface_end, | ||
core::Real const | rmsd | ||
) |
void protocols::simple_filters::write_to_file | ( | std::string const | filename, |
core::Size const | stem1, | ||
core::Size const | stem2, | ||
core::Real const | rmsd, | ||
std::string const | pdbname, | ||
core::pose::Pose const & | pose | ||
) |
References core::pose::Pose::pdb_info(), and runtime_assert.
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Referenced by protocols::simple_filters::NeighborTypeFilter::apply().
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Referenced by protocols::simple_filters::ResidueDistanceFilter::apply().
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Referenced by protocols::simple_filters::SidechainRmsdFilter::apply().
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Referenced by protocols::simple_filters::ChiWellRmsdEvaluatorCreator::add_evaluators(), protocols::simple_filters::ContactMapEvaluatorCreator::add_evaluators(), protocols::simple_filters::RmsdEvaluatorCreator::add_evaluators(), protocols::simple_filters::ScoreCutoffFilter::add_score_type(), protocols::simple_filters::SAXSScoreFilter::apply(), protocols::simple_filters::ExternalEvaluator::apply(), protocols::simple_filters::ChiWellRmsdEvaluator::apply(), protocols::simple_filters::RmsdEvaluator::apply(), protocols::simple_filters::ConservedPosMutationFilter::apply(), protocols::simple_filters::TruncatedScoreEvaluator::apply(), protocols::simple_filters::ShapeComplementarityFilter::apply(), protocols::simple_filters::RangeFilter::apply(), protocols::simple_filters::PackStatFilter::apply(), protocols::simple_filters::HolesFilter::apply(), protocols::simple_filters::ResidueIEFilter::compute(), protocols::simple_filters::ShapeComplementarityFilter::compute(), protocols::simple_filters::PackStatFilter::compute(), protocols::simple_filters::ExternalEvaluator::ExternalEvaluator(), protocols::simple_filters::ShapeComplementarityFilter::parse_def(), protocols::simple_filters::ResidueIEFilter::parse_my_tag(), protocols::simple_filters::ShapeComplementarityFilter::parse_my_tag(), protocols::simple_filters::PackStatFilter::parse_my_tag(), protocols::simple_filters::HolesFilter::parse_my_tag(), protocols::simple_filters::ShapeComplementarityFilter::report_sm(), protocols::simple_filters::ScoreEvaluator::ScoreEvaluator(), protocols::simple_filters::TruncatedScoreEvaluator::TruncatedScoreEvaluator(), and protocols::simple_filters::ExternalEvaluator::~ExternalEvaluator().
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Referenced by protocols::simple_filters::TotalSasaFilter::apply(), protocols::simple_filters::FileRemoveFilter::apply(), protocols::simple_filters::InterfaceSasaFilter::apply(), protocols::simple_filters::DdgFilter::apply(), protocols::simple_filters::GeometryFilter::apply(), protocols::simple_filters::PoseComment::apply(), protocols::simple_filters::Operator::apply(), protocols::simple_filters::TerminusDistanceFilter::apply(), protocols::simple_filters::NetChargeFilter::apply(), protocols::simple_filters::NMerPSSMEnergyFilter::apply(), protocols::simple_filters::SSMotifFinder::apply(), protocols::simple_filters::NMerSVMEnergyFilter::apply(), protocols::simple_filters::StemFinder::apply(), protocols::simple_filters::AtomicDistanceFilter::apply(), protocols::simple_filters::MutationsFilter::apply(), protocols::simple_filters::AtomicContactFilter::apply(), protocols::simple_filters::TaskAwareScoreTypeFilter::apply(), protocols::simple_filters::ResidueSetChainEnergyFilter::apply(), protocols::simple_filters::AveragePathLengthFilter::apply(), protocols::simple_filters::DisulfideEntropyFilter::apply(), protocols::simple_filters::ResidueCountFilter::apply(), protocols::simple_filters::SymmetricMotifFilter::apply(), protocols::simple_filters::InterfaceBindingEnergyDensityFilter::apply(), protocols::simple_filters::DeltaFilter::baseline(), protocols::simple_filters::ReportFilter::checkpoint_read(), protocols::simple_filters::ReportFilter::checkpoint_write(), protocols::simple_filters::CircularPermutationFinder::circular_permutation(), protocols::simple_filters::SavePoseConstraintToFileFilter::compute(), protocols::simple_filters::PoseInfoFilter::compute(), protocols::simple_filters::TotalSasaFilter::compute(), protocols::simple_filters::InterfaceSasaFilter::compute(), protocols::simple_filters::AtomicDistanceFilter::compute(), protocols::simple_filters::GeometryFilter::compute(), protocols::simple_filters::DeltaFilter::compute(), protocols::simple_filters::AtomicContactFilter::compute(), protocols::simple_filters::NetChargeFilter::compute(), protocols::simple_filters::NonSequentialNeighborsFilter::compute(), protocols::simple_filters::Operator::compute(), protocols::simple_filters::Sigmoid::compute(), protocols::simple_filters::RelativePoseFilter::compute(), protocols::simple_filters::MultipleSigmoids::compute(), protocols::simple_filters::MutationsFilter::compute(), protocols::simple_filters::TaskAwareScoreTypeFilter::compute(), protocols::simple_filters::RotamerBoltzmannWeight::compute(), protocols::simple_filters::DdgFilter::compute(), protocols::simple_filters::TaskAwareSASAFilter::compute(), protocols::simple_filters::RotamerBoltzmannWeight::compute_Boltzmann_weight(), protocols::simple_filters::SymmetricMotifFilter::compute_d2(), protocols::simple_filters::SSMotifFinder::compute_jump(), protocols::simple_filters::AlaScan::ddG_for_single_residue(), protocols::simple_filters::TaskAwareAlaScan::ddG_for_single_residue(), protocols::simple_filters::DdgFilter::DdgFilter(), protocols::simple_filters::RotamerBoltzmannWeight::first_pass_ala_scan(), load_poses(), protocols::simple_filters::Operator::modify_relative_filters_pdb_names(), protocols::simple_filters::TaskAwareAlaScan::parse_ddG_task_operations(), protocols::simple_filters::InterfaceSasaFilter::parse_def(), protocols::simple_filters::TaskAwareScoreTypeFilter::parse_def(), protocols::simple_filters::RotamerBoltzmannWeight::parse_def(), protocols::simple_filters::DdgFilter::parse_def(), protocols::simple_filters::PoseComment::parse_my_tag(), protocols::simple_filters::Operator::parse_my_tag(), protocols::simple_filters::CircularPermutationFinder::parse_my_tag(), protocols::simple_filters::SSMotifFinder::parse_my_tag(), protocols::simple_filters::StemFinder::parse_my_tag(), protocols::simple_filters::MultipleSigmoids::parse_my_tag(), protocols::simple_filters::Sigmoid::parse_my_tag(), protocols::simple_filters::DeltaFilter::parse_my_tag(), protocols::simple_filters::NonSequentialNeighborsFilter::parse_my_tag(), protocols::simple_filters::TotalSasaFilter::parse_my_tag(), protocols::simple_filters::SavePoseConstraintToFileFilter::parse_my_tag(), protocols::simple_filters::ReportFilter::parse_my_tag(), protocols::simple_filters::RelativePoseFilter::parse_my_tag(), protocols::simple_filters::TaskAwareScoreTypeFilter::parse_my_tag(), protocols::simple_filters::RotamerBoltzmannWeight::parse_my_tag(), protocols::simple_filters::AtomicDistanceFilter::parse_my_tag(), protocols::simple_filters::AtomicContactFilter::parse_my_tag(), protocols::simple_filters::ResidueSetChainEnergyFilter::parse_my_tag(), protocols::simple_filters::NetChargeFilter::parse_my_tag(), protocols::simple_filters::MutationsFilter::parse_my_tag(), protocols::simple_filters::AveragePathLengthFilter::parse_my_tag(), protocols::simple_filters::ResidueCountFilter::parse_my_tag(), protocols::simple_filters::DisulfideEntropyFilter::parse_my_tag(), protocols::simple_filters::SymmetricMotifFilter::parse_my_tag(), protocols::simple_filters::SymmetricMotifFilter::process_motifs(), protocols::simple_filters::SymmetricMotifFilter::report(), protocols::simple_filters::TaskAwareAlaScan::report(), protocols::simple_filters::Operator::report_sm(), protocols::simple_filters::RotamerBoltzmannWeight::report_sm(), protocols::simple_filters::Operator::reset_baseline(), protocols::simple_filters::MultipleSigmoids::reset_baseline(), protocols::simple_filters::Sigmoid::reset_baseline(), protocols::simple_filters::SaveResfileToDiskFilter::select_residues(), superimpose_parts(), and protocols::simple_filters::RelativePoseFilter::thread_seq().
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