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Rosetta
2021.16
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Classes | |
| class | BuildPosition |
| class | IRCollection |
| class | LigandMotifSearch |
| class | Motif |
| class | MotifDnaPacker |
| class | MotifDnaPackerCreator |
| class | MotifHit |
| class | MotifLibrary |
| class | MotifSearch |
| class | SingleMotif |
Typedefs | |
| typedef utility::pointer::shared_ptr < BuildPosition > | BuildPositionOP |
| typedef utility::pointer::shared_ptr < BuildPosition const > | BuildPositionCOP |
| typedef utility::vector1 < BuildPositionOP > | BuildPositionOPs |
| typedef utility::vector1 < BuildPositionCOP > | BuildPositionCOPs |
| typedef utility::pointer::shared_ptr < IRCollection > | IRCollectionOP |
| typedef utility::pointer::shared_ptr < IRCollection const > | IRCollectionCOP |
| typedef utility::vector1 < IRCollectionOP > | IRCollectionOPs |
| typedef utility::pointer::shared_ptr < LigandMotifSearch > | LigandMotifSearchOP |
| typedef utility::pointer::shared_ptr < LigandMotifSearch const > | LigandMotifSearchCOP |
| typedef utility::pointer::shared_ptr < Motif > | MotifOP |
| typedef utility::pointer::shared_ptr < Motif const > | MotifCOP |
| typedef utility::vector1< MotifOP > | MotifOPs |
| typedef utility::vector1 < MotifCOP > | MotifCOPs |
| typedef utility::pointer::shared_ptr < MotifDnaPacker > | MotifDnaPackerOP |
| typedef utility::pointer::shared_ptr < MotifDnaPacker const > | MotifDnaPackerCOP |
| typedef utility::pointer::shared_ptr < MotifHit > | MotifHitOP |
| typedef utility::pointer::shared_ptr < MotifHit const > | MotifHitCOP |
| typedef utility::vector1 < MotifHitOP > | MotifHitOPs |
| typedef utility::vector1 < MotifHitCOP > | MotifHitCOPs |
| typedef utility::pointer::shared_ptr < MotifLibrary > | MotifLibraryOP |
| typedef utility::pointer::shared_ptr < MotifLibrary const > | MotifLibraryCOP |
| typedef utility::pointer::shared_ptr < MotifSearch > | MotifSearchOP |
| typedef utility::pointer::shared_ptr < MotifSearch const > | MotifSearchCOP |
| typedef utility::pointer::shared_ptr < SingleMotif > | SingleMotifOP |
| typedef utility::pointer::shared_ptr < SingleMotif const > | SingleMotifCOP |
| typedef utility::vector1 < SingleMotifOP > | SingleMotifOPs |
| typedef utility::vector1 < SingleMotifCOP > | SingleMotifCOPs |
Functions | |
| static basic::Tracer | irt ("protocols.motifs.IRCollection", basic::t_info) |
| static basic::Tracer | ms_tr ("protocols.motifs.LigandMotifSearch", basic::t_info) |
| static basic::Tracer | mt ("protocols.motifs.Motif", basic::t_info) |
| std::ostream & | operator<< (std::ostream &os, Motif const &motif) |
| static basic::Tracer | mu_tr ("protocols.motifs.motif_utils", basic::t_info) |
| SingleMotifOP | single_motif_from_filename (utility::file::FileName const &motif_filename) |
| SingleMotifOP | single_motif_from_stream (utility::io::izstream &motif_info) |
| SingleMotifOP | single_motif_from_stream (std::istream &motif_info) |
| SingleMotifOP | single_ligand_motif_from_stream (std::istream &motif_info) |
| core::Real | parallel_base_test (core::conformation::Residue const &pose_dna, core::conformation::Residue const &motif_dna) |
| core::Real | backbone_stub_match (core::conformation::Residue const &r1, core::conformation::Residue const &r2) |
| void | add_motif_bb_constraints (core::scoring::constraints::ConstraintSetOP cst_set, core::pose::Pose &pose, core::Size this_pos, core::conformation::Residue const &inv_rotamer) |
| void | add_motif_sc_constraints (core::scoring::constraints::ConstraintSetOP cst_set, core::pose::Pose &pose, core::Size this_pos, core::conformation::Residue const &inv_rotamer, MotifCOP this_motif, bool const is_it_forward) |
| void | mutate_position_vector_for_search (core::pose::Pose &pose, utility::vector1< core::Size > &trim_positions) |
| void | mutate_loops_for_search (core::pose::Pose &pose, protocols::loops::Loops &flex_regions) |
| MotifLibrary const | get_MotifLibrary_user () |
| MotifLibrary const | get_LigandMotifLibrary_user () |
| utility::vector1 < core::conformation::ResidueOP > const | get_targetconformers_user () |
| std::map< std::string, utility::vector1 < core::conformation::ResidueOP > > const | setup_conformer_map (utility::vector1< core::conformation::ResidueOP > const &conformerOPs) |
| utility::vector1< core::Size > | get_target_positions_make_dna_mutations (core::pose::Pose &pose) |
| std::map< core::Size, std::set < std::string > > | get_target_position_map_make_dna_mutations (core::pose::Pose &pose) |
| void | make_dna_mutations (core::pose::Pose &pose) |
| void | make_dna_mutations (core::pose::Pose &pose, protocols::dna::DnaDesignDefOPs const &target) |
| utility::vector1< core::Size > | defs2vector (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets) |
| utility::vector1< std::pair < core::Size, utility::vector1 < std::string > > > | defs2allowedtypes (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets) |
| std::map< core::Size, std::set < std::string > > | defs2map (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets) |
| std::map< core::Size, std::set < std::string > > | bpdefs2map (core::pose::Pose const &pose, protocols::dna::DnaDesignDefOPs const &targets) |
| std::string | name3_from_oneletter (std::string const &oneletter) |
| utility::vector1< core::Size > | get_motif_build_positions_user (core::pose::Pose const &pose) |
| utility::vector1 < protocols::dna::DnaDesignDefOP > | get_motif_build_position_defs_user () |
| void | load_build_position_data (BuildPosition &bp, std::string const &filename, core::pose::Pose &pose, core::Size const ligand_marker) |
| utility::vector1 < utility::file::FileName > | get_filenames (utility::vector1< utility::file::FileName > const &listnames) |
| core::conformation::ResidueOP | single_residue_from_stream (utility::io::izstream &residue_info) |
| utility::vector1< bool > | bools_from_sizes (core::Size const nres, utility::vector1< core::Size > const &v) |
| void | make_base_pair_mutation (core::pose::Pose &pose, core::Size const seqpos, core::chemical::AA const &na) |
| core::Real | atom_specific_rms (core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, utility::vector1< core::Size > const &atoms) |
| core::Real | atom_specific_rms (core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, utility::vector1< std::string > const &atoms) |
| core::pack::rotamer_set::RotamerSetOP | build_rotamers_lite (core::pose::Pose &pose, core::Size const rotamer_build_position, utility::vector1< bool > aa_info, core::Size const ex_, bool bump_check) |
| static basic::Tracer | TR ("devel.motifs.MotifDnaPacker") |
| std::ostream & | operator<< (std::ostream &os, MotifLibrary const &mlib) |
| static basic::Tracer | ms_tr ("protocols.motifs.MotifSearch", basic::t_info) |
| static basic::Tracer | mt ("protocols.motifs.Motif", basic::t_info) |
| std::ostream & | operator<< (std::ostream &os, const SingleMotif &motif) |
Variables | |
| core::Size const | NO_LIGAND = 0 |
| core::Size const | LIGAND = 1 |
| typedef utility::pointer::shared_ptr< BuildPosition const > protocols::motifs::BuildPositionCOP |
| typedef utility::vector1< BuildPositionCOP > protocols::motifs::BuildPositionCOPs |
| typedef utility::pointer::shared_ptr< BuildPosition > protocols::motifs::BuildPositionOP |
| typedef utility::vector1< BuildPositionOP > protocols::motifs::BuildPositionOPs |
| typedef utility::pointer::shared_ptr< IRCollection const > protocols::motifs::IRCollectionCOP |
| typedef utility::pointer::shared_ptr< IRCollection > protocols::motifs::IRCollectionOP |
| typedef utility::vector1< IRCollectionOP > protocols::motifs::IRCollectionOPs |
| typedef utility::pointer::shared_ptr< LigandMotifSearch const > protocols::motifs::LigandMotifSearchCOP |
| typedef utility::pointer::shared_ptr< LigandMotifSearch > protocols::motifs::LigandMotifSearchOP |
| typedef utility::pointer::shared_ptr< Motif const > protocols::motifs::MotifCOP |
| typedef utility::vector1< MotifCOP > protocols::motifs::MotifCOPs |
| typedef utility::pointer::shared_ptr< MotifDnaPacker const > protocols::motifs::MotifDnaPackerCOP |
| typedef utility::pointer::shared_ptr< MotifDnaPacker > protocols::motifs::MotifDnaPackerOP |
| typedef utility::pointer::shared_ptr< MotifHit const > protocols::motifs::MotifHitCOP |
| typedef utility::vector1< MotifHitCOP > protocols::motifs::MotifHitCOPs |
| typedef utility::pointer::shared_ptr< MotifHit > protocols::motifs::MotifHitOP |
| typedef utility::vector1< MotifHitOP > protocols::motifs::MotifHitOPs |
| typedef utility::pointer::shared_ptr< MotifLibrary const > protocols::motifs::MotifLibraryCOP |
| typedef utility::pointer::shared_ptr< MotifLibrary > protocols::motifs::MotifLibraryOP |
| typedef utility::pointer::shared_ptr< Motif > protocols::motifs::MotifOP |
| typedef utility::vector1< MotifOP > protocols::motifs::MotifOPs |
| typedef utility::pointer::shared_ptr< MotifSearch const > protocols::motifs::MotifSearchCOP |
| typedef utility::pointer::shared_ptr< MotifSearch > protocols::motifs::MotifSearchOP |
| typedef utility::pointer::shared_ptr< SingleMotif const > protocols::motifs::SingleMotifCOP |
| typedef utility::vector1< SingleMotifCOP > protocols::motifs::SingleMotifCOPs |
| typedef utility::pointer::shared_ptr< SingleMotif > protocols::motifs::SingleMotifOP |
| typedef utility::vector1< SingleMotifOP > protocols::motifs::SingleMotifOPs |
| void protocols::motifs::add_motif_bb_constraints | ( | core::scoring::constraints::ConstraintSetOP | cst_set, |
| core::pose::Pose & | pose, | ||
| core::Size | this_pos, | ||
| core::conformation::Residue const & | inv_rotamer | ||
| ) |
| void protocols::motifs::add_motif_sc_constraints | ( | core::scoring::constraints::ConstraintSetOP | cst_set, |
| core::pose::Pose & | pose, | ||
| core::Size | this_pos, | ||
| core::conformation::Residue const & | inv_rotamer, | ||
| MotifCOP | this_motif, | ||
| bool const | is_it_forward | ||
| ) |
References core::conformation::Residue::atom_index(), core::chemical::ResidueTypeBase::is_protein(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::pose::Pose::size(), and core::conformation::Residue::xyz().
Referenced by protocols::motifs::MotifSearch::incorporate_motifs(), protocols::motifs::LigandMotifSearch::incorporate_motifs(), and protocols::motifs::IRCollection::successful_loop_closure().
| core::Real protocols::motifs::atom_specific_rms | ( | core::conformation::Residue const & | rsd1, |
| core::conformation::Residue const & | rsd2, | ||
| utility::vector1< core::Size > const & | atoms | ||
| ) |
| core::Real protocols::motifs::atom_specific_rms | ( | core::conformation::Residue const & | rsd1, |
| core::conformation::Residue const & | rsd2, | ||
| utility::vector1< std::string > const & | atoms | ||
| ) |
References core::conformation::Residue::xyz().
| core::Real protocols::motifs::backbone_stub_match | ( | core::conformation::Residue const & | r1, |
| core::conformation::Residue const & | r2 | ||
| ) |
| utility::vector1< bool > protocols::motifs::bools_from_sizes | ( | core::Size const | nres, |
| utility::vector1< core::Size > const & | v | ||
| ) |
References protocols::match::upstream::b.
| std::map< core::Size, std::set< std::string > > protocols::motifs::bpdefs2map | ( | core::pose::Pose const & | pose, |
| protocols::dna::DnaDesignDefOPs const & | targets | ||
| ) |
| core::pack::rotamer_set::RotamerSetOP protocols::motifs::build_rotamers_lite | ( | core::pose::Pose & | pose, |
| core::Size const | rotamer_build_position, | ||
| utility::vector1< bool > | aa_info, | ||
| core::Size const | ex_, | ||
| bool | bump_check | ||
| ) |
References core::pack::create_packer_graph(), core::pack::task::TaskFactory::create_packer_task(), core::pack::rotamer_set::RotamerSetFactory::create_rotamer_set(), core::pack::task::EX_FOUR_HALF_STEP_STDDEVS, core::scoring::fa_atr, core::scoring::fa_rep, and core::scoring::ScoreFunction::set_weight().
Referenced by protocols::motifs::MotifSearch::incorporate_motifs(), and protocols::motifs::LigandMotifSearch::incorporate_motifs().
| utility::vector1< std::pair< core::Size, utility::vector1< std::string > > > protocols::motifs::defs2allowedtypes | ( | core::pose::Pose const & | pose, |
| protocols::dna::DnaDesignDefOPs const & | targets | ||
| ) |
References mu_tr(), and core::pose::Pose::pdb_info().
| std::map< core::Size, std::set< std::string > > protocols::motifs::defs2map | ( | core::pose::Pose const & | pose, |
| protocols::dna::DnaDesignDefOPs const & | targets | ||
| ) |
| utility::vector1< core::Size > protocols::motifs::defs2vector | ( | core::pose::Pose const & | pose, |
| protocols::dna::DnaDesignDefOPs const & | targets | ||
| ) |
References core::pose::Pose::pdb_info().
Referenced by protocols::motifs::MotifDnaPacker::apply(), get_motif_build_positions_user(), and get_target_positions_make_dna_mutations().
| utility::vector1< utility::file::FileName > protocols::motifs::get_filenames | ( | utility::vector1< utility::file::FileName > const & | listnames | ) |
Referenced by get_LigandMotifLibrary_user(), get_MotifLibrary_user(), and get_targetconformers_user().
| MotifLibrary const protocols::motifs::get_LigandMotifLibrary_user | ( | ) |
References protocols::motifs::MotifLibrary::add_ligand_from_file(), get_filenames(), and mu_tr().
Referenced by protocols::motifs::LigandMotifSearch::initialize().
| protocols::dna::DnaDesignDefOPs protocols::motifs::get_motif_build_position_defs_user | ( | ) |
References protocols::dna::load_dna_design_defs_from_strings(), and mu_tr().
Referenced by protocols::motifs::MotifSearch::initialize().
| utility::vector1< core::Size > protocols::motifs::get_motif_build_positions_user | ( | core::pose::Pose const & | pose | ) |
References defs2vector(), protocols::dna::load_dna_design_defs_from_strings(), and mu_tr().
| MotifLibrary const protocols::motifs::get_MotifLibrary_user | ( | ) |
References protocols::motifs::MotifLibrary::add_from_file(), get_filenames(), and mu_tr().
Referenced by protocols::motifs::MotifSearch::initialize().
| std::map< core::Size, std::set< std::string > > protocols::motifs::get_target_position_map_make_dna_mutations | ( | core::pose::Pose & | pose | ) |
| utility::vector1< core::Size > protocols::motifs::get_target_positions_make_dna_mutations | ( | core::pose::Pose & | pose | ) |
| utility::vector1< core::conformation::ResidueOP > const protocols::motifs::get_targetconformers_user | ( | ) |
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| void protocols::motifs::load_build_position_data | ( | BuildPosition & | bp, |
| std::string const & | filename, | ||
| core::pose::Pose & | pose, | ||
| core::Size const | ligand_marker | ||
| ) |
References protocols::motifs::BuildPosition::keep_motif(), protocols::motifs::BuildPosition::keep_rotamer(), LIGAND, mu_tr(), core::pose::Pose::residue(), protocols::motifs::BuildPosition::seqpos(), core::conformation::set_chi_according_to_coordinates(), single_ligand_motif_from_stream(), single_motif_from_stream(), and single_residue_from_stream().
Referenced by protocols::motifs::MotifSearch::initialize(), and protocols::motifs::LigandMotifSearch::run().
| void protocols::motifs::make_base_pair_mutation | ( | core::pose::Pose & | pose, |
| core::Size const | seqpos, | ||
| core::chemical::AA const & | na | ||
| ) |
References protocols::cluster::calibur::aa, core::pose::Pose::conformation(), core::conformation::ResidueFactory::create_residue(), protocols::dna::dna_base_partner(), core::pose::Pose::replace_residue(), core::pose::Pose::residue(), core::pose::Pose::residue_type_set_for_pose(), and core::scoring::dna::retrieve_base_partner_from_pose().
Referenced by protocols::motifs::MotifSearch::incorporate_motifs(), protocols::motifs::LigandMotifSearch::incorporate_motifs(), and make_dna_mutations().
| void protocols::motifs::make_dna_mutations | ( | core::pose::Pose & | pose | ) |
| void protocols::motifs::make_dna_mutations | ( | core::pose::Pose & | pose, |
| protocols::dna::DnaDesignDefOPs const & | target | ||
| ) |
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Referenced by protocols::motifs::MotifSearch::bp_motifhits(), protocols::motifs::MotifSearch::bp_rotamers(), protocols::motifs::LigandMotifSearch::bp_rotamers(), protocols::motifs::MotifSearch::defs2BuildPositions(), protocols::motifs::LigandMotifSearch::defs2BuildPositions(), protocols::motifs::MotifSearch::defs2BuildPositions_findts(), protocols::motifs::LigandMotifSearch::defs2BuildPositions_findts(), protocols::motifs::LigandMotifSearch::get_sphere_aa(), protocols::motifs::MotifSearch::identify_motif_build_positions(), protocols::motifs::LigandMotifSearch::identify_motif_build_positions(), protocols::motifs::MotifSearch::identify_motif_BuildPositions(), protocols::motifs::LigandMotifSearch::identify_motif_BuildPositions(), protocols::motifs::MotifSearch::incorporate_motifs(), protocols::motifs::LigandMotifSearch::incorporate_motifs(), protocols::motifs::MotifSearch::initialize(), protocols::motifs::LigandMotifSearch::initialize(), protocols::motifs::MotifSearch::protein_dna_motif(), protocols::motifs::LigandMotifSearch::protein_dna_motif(), protocols::motifs::MotifSearch::protein_DNA_motif_build_positions_JA(), protocols::motifs::LigandMotifSearch::protein_DNA_motif_build_positions_JA(), protocols::motifs::MotifSearch::protein_DNA_motif_target_positions_JA(), protocols::motifs::LigandMotifSearch::protein_DNA_motif_target_positions_JA(), and protocols::motifs::LigandMotifSearch::run().
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Referenced by protocols::motifs::Motif::build_inverted_rotamers(), protocols::moves::FilterMover::max_tries(), protocols::motifs::Motif::Motif(), protocols::motifs::Motif::place_atoms(), protocols::motifs::Motif::place_residue(), protocols::constel::SingResCnlCrea::strip_atoms(), protocols::backrub::BackrubSidechainMover::update_type(), protocols::simple_moves::sidechain_moves::SidechainMover::update_type(), and protocols::backrub::BackrubMover::update_type().
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Referenced by bpdefs2map(), defs2allowedtypes(), defs2map(), get_LigandMotifLibrary_user(), get_motif_build_position_defs_user(), get_motif_build_positions_user(), get_MotifLibrary_user(), get_target_position_map_make_dna_mutations(), get_target_positions_make_dna_mutations(), load_build_position_data(), and make_dna_mutations().
| void protocols::motifs::mutate_loops_for_search | ( | core::pose::Pose & | pose, |
| protocols::loops::Loops & | flex_regions | ||
| ) |
References core::conformation::Residue::aa(), core::chemical::aa_ala, core::chemical::aa_gly, core::chemical::aa_pro, core::pack::task::TaskFactory::create_packer_task(), core::scoring::get_score_function_legacy(), protocols::loops::Loops::is_loop_residue(), core::chemical::num_canonical_aas, core::pack::pack_rotamers(), core::scoring::PRE_TALARIS_2013_STANDARD_WTS, core::pose::Pose::residue(), and core::pose::Pose::size().
Referenced by protocols::motifs::IRCollection::incorporate_motifs().
| void protocols::motifs::mutate_position_vector_for_search | ( | core::pose::Pose & | pose, |
| utility::vector1< core::Size > & | trim_positions | ||
| ) |
References core::conformation::Residue::aa(), core::chemical::aa_ala, core::chemical::aa_gly, core::chemical::aa_pro, core::pack::task::TaskFactory::create_packer_task(), core::scoring::get_score_function_legacy(), core::chemical::num_canonical_aas, core::pack::pack_rotamers(), core::scoring::PRE_TALARIS_2013_STANDARD_WTS, core::pose::Pose::residue(), and core::pose::Pose::size().
Referenced by protocols::motifs::IRCollection::incorporate_motifs().
| std::string protocols::motifs::name3_from_oneletter | ( | std::string const & | oneletter | ) |
Referenced by bpdefs2map().
| std::ostream& protocols::motifs::operator<< | ( | std::ostream & | os, |
| MotifLibrary const & | mlib | ||
| ) |
| std::ostream& protocols::motifs::operator<< | ( | std::ostream & | os, |
| const SingleMotif & | motif | ||
| ) |
References protocols::motifs::Motif::print().
| std::ostream& protocols::motifs::operator<< | ( | std::ostream & | os, |
| Motif const & | motif | ||
| ) |
References protocols::motifs::Motif::print().
| core::Real protocols::motifs::parallel_base_test | ( | core::conformation::Residue const & | pose_dna, |
| core::conformation::Residue const & | motif_dna | ||
| ) |
References core::scoring::dna::get_y_axis(), core::scoring::dna::get_z_axis(), and core::chemical::rings::q.
Referenced by protocols::motifs::MotifSearch::incorporate_motifs().
| std::map< std::string, utility::vector1< core::conformation::ResidueOP > > const protocols::motifs::setup_conformer_map | ( | utility::vector1< core::conformation::ResidueOP > const & | conformerOPs | ) |
| SingleMotifOP protocols::motifs::single_ligand_motif_from_stream | ( | std::istream & | motif_info | ) |
Referenced by load_build_position_data(), and protocols::motifs::MotifLibrary::MotifLibrary().
| SingleMotifOP protocols::motifs::single_motif_from_filename | ( | utility::file::FileName const & | motif_filename | ) |
References core::import_pose::PDB_file, and core::import_pose::pose_from_file().
Referenced by protocols::motifs::MotifLibrary::MotifLibrary().
| SingleMotifOP protocols::motifs::single_motif_from_stream | ( | utility::io::izstream & | motif_info | ) |
Referenced by load_build_position_data(), and protocols::motifs::MotifLibrary::MotifLibrary().
| SingleMotifOP protocols::motifs::single_motif_from_stream | ( | std::istream & | motif_info | ) |
| core::conformation::ResidueOP protocols::motifs::single_residue_from_stream | ( | utility::io::izstream & | residue_info | ) |
References core::conformation::ResidueFactory::create_residue(), and core::chemical::FA_STANDARD.
Referenced by load_build_position_data().
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| core::Size const protocols::motifs::LIGAND = 1 |
Referenced by load_build_position_data(), and protocols::motifs::LigandMotifSearch::run().
| core::Size const protocols::motifs::NO_LIGAND = 0 |
1.8.7