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Rosetta Protocols
2015.09
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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::shared_ptr< BuildPosition const > protocols::motifs::BuildPositionCOP |
typedef utility::pointer::shared_ptr< BuildPosition > protocols::motifs::BuildPositionOP |
typedef utility::pointer::shared_ptr< IRCollection const > protocols::motifs::IRCollectionCOP |
typedef utility::pointer::shared_ptr< IRCollection > protocols::motifs::IRCollectionOP |
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::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::pointer::shared_ptr< MotifHit > protocols::motifs::MotifHitOP |
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::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::pointer::shared_ptr< SingleMotif > protocols::motifs::SingleMotifOP |
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::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 | ||
) |
core::Real protocols::motifs::atom_specific_rms | ( | core::conformation::Residue const & | rsd1, |
core::conformation::Residue const & | rsd2, | ||
utility::vector1< std::string > const & | atoms | ||
) |
core::Real protocols::motifs::backbone_stub_match | ( | core::conformation::Residue const & | r1, |
core::conformation::Residue const & | r2 | ||
) |
References core::chemical::ResidueType::aa(), core::chemical::aa_gly, core::conformation::Residue::atom_index(), numeric::xyzVector< class >::distance_squared(), 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 | ||
) |
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 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, fa_atr, fa_rep, and core::pose::Pose::residue().
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 | ||
) |
std::map< core::Size, std::set< std::string > > protocols::motifs::defs2map | ( | core::pose::Pose const & | pose, |
protocols::dna::DnaDesignDefOPs const & | targets | ||
) |
References utility::tools::make_map(), utility::tools::make_vector1(), 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 | ||
) |
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 | ) |
References filename().
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(), mu_tr(), option, and user.
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(), mu_tr(), option, and user.
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(), mu_tr(), option, and user.
MotifLibrary const protocols::motifs::get_MotifLibrary_user | ( | ) |
References protocols::motifs::MotifLibrary::add_from_file(), get_filenames(), mu_tr(), option, and user.
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 | ( | ) |
References utility::file::file_exists(), filename(), get_filenames(), option, core::import_pose::pose_from_pdb(), and user.
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 | ||
) |
References end, protocols::motifs::BuildPosition::keep_motif(), protocols::motifs::BuildPosition::keep_rotamer(), mu_tr(), core::pose::Pose::residue(), protocols::motifs::BuildPosition::seqpos(), 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 | ||
) |
void protocols::motifs::make_base_pair_mutation | ( | core::pose::Pose & | pose, |
core::Size const | seqpos, | ||
core::chemical::AA const & | na | ||
) |
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(), retrieve_base_partner_from_pose(), and utility_exit_with_message.
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::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::total_residue().
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::total_residue().
Referenced by protocols::motifs::IRCollection::incorporate_motifs().
std::string protocols::motifs::name3_from_oneletter | ( | std::string const & | oneletter | ) |
References utility::tools::make_map().
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 numeric::xyzVector< class >::dot(), core::scoring::dna::get_y_axis(), core::scoring::dna::get_z_axis(), and 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 utility::file::FileName::base(), utility::file::FileName::path(), and core::import_pose::pose_from_pdb().
Referenced by protocols::motifs::MotifLibrary::MotifLibrary().
SingleMotifOP protocols::motifs::single_motif_from_stream | ( | utility::io::izstream & | motif_info | ) |
References utility::io::izstream::getline().
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(), core::chemical::FA_STANDARD, getline(), skip(), utility::string2float(), utility::string_split(), x(), y(), and z().
Referenced by load_build_position_data().
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