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Rosetta 3.5
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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 |
| typedef utility::pointer::owning_ptr< BuildPosition const > protocols::motifs::BuildPositionCOP |
Definition at line 26 of file BuildPosition.fwd.hh.
Definition at line 28 of file BuildPosition.fwd.hh.
Definition at line 24 of file BuildPosition.fwd.hh.
Definition at line 27 of file BuildPosition.fwd.hh.
| typedef utility::pointer::owning_ptr< IRCollection const > protocols::motifs::IRCollectionCOP |
Definition at line 28 of file IRCollection.fwd.hh.
Definition at line 26 of file IRCollection.fwd.hh.
Definition at line 29 of file IRCollection.fwd.hh.
| typedef utility::pointer::owning_ptr< LigandMotifSearch const > protocols::motifs::LigandMotifSearchCOP |
Definition at line 25 of file LigandMotifSearch.fwd.hh.
Definition at line 23 of file LigandMotifSearch.fwd.hh.
| typedef utility::pointer::owning_ptr< Motif const > protocols::motifs::MotifCOP |
Definition at line 26 of file Motif.fwd.hh.
| typedef utility::vector1< MotifCOP > protocols::motifs::MotifCOPs |
Definition at line 28 of file Motif.fwd.hh.
Definition at line 22 of file MotifDnaPacker.fwd.hh.
Definition at line 20 of file MotifDnaPacker.fwd.hh.
| typedef utility::pointer::owning_ptr< MotifHit const > protocols::motifs::MotifHitCOP |
Definition at line 26 of file MotifHit.fwd.hh.
Definition at line 28 of file MotifHit.fwd.hh.
Definition at line 24 of file MotifHit.fwd.hh.
Definition at line 27 of file MotifHit.fwd.hh.
| typedef utility::pointer::owning_ptr< MotifLibrary const > protocols::motifs::MotifLibraryCOP |
Definition at line 25 of file MotifLibrary.fwd.hh.
Definition at line 23 of file MotifLibrary.fwd.hh.
Definition at line 24 of file Motif.fwd.hh.
| typedef utility::vector1< MotifOP > protocols::motifs::MotifOPs |
Definition at line 27 of file Motif.fwd.hh.
| typedef utility::pointer::owning_ptr< MotifSearch const > protocols::motifs::MotifSearchCOP |
Definition at line 25 of file MotifSearch.fwd.hh.
Definition at line 23 of file MotifSearch.fwd.hh.
| typedef utility::pointer::owning_ptr< SingleMotif const > protocols::motifs::SingleMotifCOP |
Definition at line 26 of file SingleMotif.fwd.hh.
Definition at line 28 of file SingleMotif.fwd.hh.
Definition at line 24 of file SingleMotif.fwd.hh.
Definition at line 27 of file SingleMotif.fwd.hh.
| 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 | ||
| ) |
Definition at line 309 of file motif_utils.cc.
References core::chemical::ResidueType::aa(), core::chemical::aa_gly, core::conformation::Residue::atom_index(), core::pose::Pose::residue(), core::conformation::Residue::type(), and core::conformation::Residue::xyz().
Referenced by protocols::motifs::IRCollection::successful_loop_closure().
| 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 | ||
| ) |
Definition at line 355 of file motif_utils.cc.
References core::conformation::Residue::atom_index(), core::chemical::ResidueType::is_protein(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::pose::Pose::total_residue(), 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 | ||
| ) |
Definition at line 1119 of file motif_utils.cc.
References core::conformation::Residue::xyz().
Referenced by protocols::motifs::MotifSearch::incorporate_motifs(), and protocols::motifs::LigandMotifSearch::incorporate_motifs().
| core::Real protocols::motifs::atom_specific_rms | ( | core::conformation::Residue const & | rsd1, |
| core::conformation::Residue const & | rsd2, | ||
| utility::vector1< std::string > const & | atoms | ||
| ) |
Definition at line 1150 of file motif_utils.cc.
References core::conformation::Residue::xyz().
| core::Real protocols::motifs::backbone_stub_match | ( | core::conformation::Residue const & | r1, |
| core::conformation::Residue const & | r2 | ||
| ) |
Definition at line 283 of file motif_utils.cc.
References core::chemical::ResidueType::aa(), core::chemical::aa_gly, core::conformation::Residue::atom_index(), core::conformation::Residue::type(), and core::conformation::Residue::xyz().
Referenced by protocols::motifs::IRCollection::find_closest_backbone().
| utility::vector1< bool > protocols::motifs::bools_from_sizes | ( | core::Size const | nres, |
| utility::vector1< core::Size > const & | v | ||
| ) |
Definition at line 1072 of file motif_utils.cc.
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 | ||
| ) |
Definition at line 779 of file motif_utils.cc.
References core::pack::dunbrack::c, mu_tr(), name3_from_oneletter(), and core::pose::Pose::pdb_info().
Referenced by protocols::motifs::MotifSearch::defs2BuildPositions(), and protocols::motifs::MotifSearch::defs2BuildPositions_findts().
| 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 | ||
| ) |
Definition at line 1180 of file motif_utils.cc.
References core::pack::create_packer_graph(), core::pack::task::TaskFactory::create_packer_task(), core::pack::task::EX_FOUR_HALF_STEP_STDDEVS, core::scoring::fa_atr, core::scoring::fa_rep, core::pose::Pose::residue(), 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 | ||
| ) |
Definition at line 713 of file motif_utils.cc.
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 | ||
| ) |
Definition at line 746 of file motif_utils.cc.
References mu_tr(), and core::pose::Pose::pdb_info().
Referenced by protocols::motifs::LigandMotifSearch::defs2BuildPositions(), protocols::motifs::LigandMotifSearch::defs2BuildPositions_findts(), and get_target_position_map_make_dna_mutations().
| utility::vector1< core::Size > protocols::motifs::defs2vector | ( | core::pose::Pose const & | pose, |
| protocols::dna::DnaDesignDefOPs const & | targets | ||
| ) |
Definition at line 696 of file motif_utils.cc.
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) |
Definition at line 1011 of file motif_utils.cc.
References protocols::abinitio::filename().
Referenced by get_LigandMotifLibrary_user(), get_MotifLibrary_user(), and get_targetconformers_user().
| MotifLibrary const protocols::motifs::get_LigandMotifLibrary_user | ( | ) |
Definition at line 468 of file motif_utils.cc.
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 | ( | ) |
Definition at line 866 of file motif_utils.cc.
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) |
Definition at line 847 of file motif_utils.cc.
References defs2vector(), protocols::dna::load_dna_design_defs_from_strings(), and mu_tr().
| MotifLibrary const protocols::motifs::get_MotifLibrary_user | ( | ) |
Definition at line 443 of file motif_utils.cc.
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) |
Definition at line 598 of file motif_utils.cc.
References defs2map(), protocols::dna::load_dna_design_defs_from_options(), protocols::dna::load_dna_design_defs_from_strings(), make_dna_mutations(), and mu_tr().
Referenced by protocols::motifs::MotifSearch::initialize().
| utility::vector1< core::Size > protocols::motifs::get_target_positions_make_dna_mutations | ( | core::pose::Pose & | pose) |
Definition at line 550 of file motif_utils.cc.
References defs2vector(), protocols::dna::load_dna_design_defs_from_options(), protocols::dna::load_dna_design_defs_from_strings(), make_dna_mutations(), and mu_tr().
| utility::vector1< core::conformation::ResidueOP > const protocols::motifs::get_targetconformers_user | ( | ) |
Definition at line 500 of file motif_utils.cc.
References protocols::swa::rna::file_exists(), protocols::abinitio::filename(), get_filenames(), and core::import_pose::pose_from_pdb().
Referenced by protocols::motifs::MotifSearch::initialize(), and protocols::motifs::LigandMotifSearch::initialize().
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| void protocols::motifs::load_build_position_data | ( | BuildPosition & | bp, |
| std::string const & | filename, | ||
| core::pose::Pose & | pose, | ||
| core::Size | const | ||
| ) |
Definition at line 885 of file motif_utils.cc.
References core::sequence::end, protocols::motifs::BuildPosition::keep_motif(), protocols::motifs::BuildPosition::keep_rotamer(), mainchains(), mu_tr(), core::pose::Pose::residue(), protocols::motifs::BuildPosition::seqpos(), core::conformation::set_chi_according_to_coordinates(), single_ligand_motif_from_stream(), and single_residue_from_stream().
Referenced by protocols::motifs::MotifSearch::initialize(), and protocols::motifs::LigandMotifSearch::run().
| void protocols::motifs::load_build_position_data | ( | BuildPosition & | bp, |
| std::string const & | filename, | ||
| core::pose::Pose & | pose | ||
| ) |
Definition at line 944 of file motif_utils.cc.
References core::sequence::end, protocols::motifs::BuildPosition::keep_motif(), protocols::motifs::BuildPosition::keep_rotamer(), mainchains(), mu_tr(), core::pose::Pose::residue(), protocols::motifs::BuildPosition::seqpos(), core::conformation::set_chi_according_to_coordinates(), single_motif_from_stream(), and single_residue_from_stream().
| void protocols::motifs::make_base_pair_mutation | ( | core::pose::Pose & | pose, |
| core::Size const | seqpos, | ||
| core::chemical::AA const & | na | ||
| ) |
Definition at line 1083 of file motif_utils.cc.
References core::pose::Pose::conformation(), core::conformation::ResidueFactory::create_residue(), protocols::dna::dna_base_partner(), core::pose::Pose::replace_residue(), core::pose::Pose::residue(), core::conformation::Residue::residue_type_set(), 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) |
Definition at line 636 of file motif_utils.cc.
References protocols::dna::load_dna_design_defs_from_options(), protocols::dna::load_dna_design_defs_from_strings(), and mu_tr().
Referenced by get_target_position_map_make_dna_mutations(), and get_target_positions_make_dna_mutations().
| void protocols::motifs::make_dna_mutations | ( | core::pose::Pose & | pose, |
| protocols::dna::DnaDesignDefOPs const & | target | ||
| ) |
Definition at line 665 of file motif_utils.cc.
References core::chemical::aa_from_name(), protocols::dna::dna_full_name3(), make_base_pair_mutation(), mu_tr(), core::conformation::Residue::name3(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), and core::scoring::dna::set_base_partner().
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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::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 | ||
| ) |
Definition at line 406 of file motif_utils.cc.
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::ScoreFunctionFactory::create_score_function(), protocols::loops::Loops::is_loop_residue(), core::chemical::num_canonical_aas, core::pack::pack_rotamers(), core::pose::Pose::residue(), and core::pose::Pose::total_residue().
Referenced by protocols::motifs::IRCollection::incorporate_motifs().
| std::string protocols::motifs::name3_from_oneletter | ( | std::string const & | oneletter) |
Definition at line 817 of file motif_utils.cc.
Referenced by bpdefs2map().
| std::ostream& protocols::motifs::operator<< | ( | std::ostream & | os, |
| MotifLibrary const & | mlib | ||
| ) |
Definition at line 123 of file MotifLibrary.cc.
References protocols::motifs::MotifLibrary::begin(), and protocols::motifs::MotifLibrary::end().
| std::ostream& protocols::motifs::operator<< | ( | std::ostream & | os, |
| const SingleMotif & | motif | ||
| ) |
Definition at line 161 of file SingleMotif.cc.
References protocols::motifs::Motif::print().
| std::ostream& protocols::motifs::operator<< | ( | std::ostream & | os, |
| Motif const & | motif | ||
| ) |
Definition at line 1249 of file Motif.cc.
References protocols::motifs::Motif::print().
| core::Real protocols::motifs::parallel_base_test | ( | core::conformation::Residue const & | pose_dna, |
| core::conformation::Residue const & | motif_dna | ||
| ) |
Definition at line 268 of file motif_utils.cc.
References core::scoring::dna::get_y_axis(), and core::scoring::dna::get_z_axis().
Referenced by protocols::motifs::MotifSearch::incorporate_motifs().
| int const protocols::motifs::PRECISION | ( | 3 | ) |
| std::map< std::string, utility::vector1< core::conformation::ResidueOP > > const protocols::motifs::setup_conformer_map | ( | utility::vector1< core::conformation::ResidueOP > const & | conformerOPs) |
Definition at line 531 of file motif_utils.cc.
Referenced by protocols::motifs::MotifSearch::initialize(), and protocols::motifs::LigandMotifSearch::initialize().
| SingleMotifOP protocols::motifs::single_ligand_motif_from_stream | ( | std::istream & | motif_info) |
Definition at line 223 of file motif_utils.cc.
Referenced by load_build_position_data(), and protocols::motifs::MotifLibrary::MotifLibrary().
| SingleMotifOP protocols::motifs::single_motif_from_filename | ( | utility::file::FileName const & | motif_filename) |
Definition at line 99 of file motif_utils.cc.
References core::import_pose::pose_from_pdb().
Referenced by protocols::motifs::MotifLibrary::MotifLibrary().
| SingleMotifOP protocols::motifs::single_motif_from_stream | ( | utility::io::izstream & | motif_info) |
Definition at line 118 of file motif_utils.cc.
Referenced by load_build_position_data(), and protocols::motifs::MotifLibrary::MotifLibrary().
| SingleMotifOP protocols::motifs::single_motif_from_stream | ( | std::istream & | motif_info) |
Definition at line 169 of file motif_utils.cc.
| core::conformation::ResidueOP protocols::motifs::single_residue_from_stream | ( | utility::io::izstream & | residue_info) |
Definition at line 1030 of file motif_utils.cc.
References core::conformation::ResidueFactory::create_residue(), core::chemical::FA_STANDARD, and core::chemical::ChemicalManager::get_instance().
Referenced by load_build_position_data().
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1.8.4