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Rosetta 3.5
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single loop definition More...
#include <Loop.hh>


Public Member Functions | |
| virtual | ~Loop () |
| Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
| Loop () | |
| default constructor More... | |
| Loop (SerializedLoop loop) | |
| Loop (core::Size const start_in, core::Size const stop_in, core::Size const cut_in=0, core::Real skip_rate=0.0, bool const extended_in=false) | |
| input constructor More... | |
| bool | is_extended () const |
| core::Size | start () const |
| core::Size | stop () const |
| core::Size | cut () const |
| core::Size | size () const |
| core::Real | skip_rate () const |
| void | set_extended (bool input) |
| void | set_start (core::Size input) |
| void | set_stop (core::Size input) |
| void | set_cut (core::Size input) |
| core::Size | length () const |
| Assuming that the loop represents a contiguous stretch of residues, returns the length. Makes no assumptions about directionality. That is, Loop(3,8).length() == Loop(8,3).length(). Constant time procedure. More... | |
| bool | increasing () const |
| Returns true if the loop's elements are increasing. More... | |
| bool | decreasing () const |
| Returns true if the loop's elements are decreasing. More... | |
| core::Size | midpoint () const |
| Returns the midpoint of the loop. More... | |
| bool | operator< (Loop const &larger) const |
| bool | operator== (Loop const &other) const |
| bool | operator!= (Loop const &other) const |
| void | get_residues (utility::vector1< Size > &selection) const |
| add all residues within this loop definition into selection More... | |
| void | switch_movemap (core::kinematics::MoveMap &movemap, core::id::TorsionType, bool allow_moves=true) const |
| switch DOF_Type for residues in loop. id::CHI, id::BB — don't use with id::JUMP More... | |
| void | choose_cutpoint (core::pose::Pose const &pose) |
| void | auto_choose_cutpoint (core::pose::Pose const &pose) |
| Autochoose a cutpoint using the secondary structure of the pose unless cutpoint is already set. More... | |
| bool | is_terminal (core::pose::Pose const &pose) const |
Private Attributes | |
| core::Size | start_ |
| core::Size | stop_ |
| core::Size | cut_ |
| core::Real | skip_rate_ |
| bool | extended_ |
Friends | |
| std::ostream & | operator<< (std::ostream &os, const Loop &loop) |
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Autochoose a cutpoint using the secondary structure of the pose unless cutpoint is already set.
Definition at line 147 of file Loop.hh.
References choose_cutpoint(), and cut_.
Referenced by protocols::loops::loop_mover::IndependentLoopMover::apply().
| void protocols::loops::Loop::choose_cutpoint | ( | core::pose::Pose const & | pose) |
Choose a cutpoint for the loop if one is not specified. Allow any residue to serve as the cutpoint, but prefer those to the center.
Definition at line 61 of file Loop.cc.
References core::conformation::Residue::aa(), core::chemical::aa_pro, cut_, core::pose::Pose::residue(), core::pose::Pose::secstruct(), start_, stop_, core::pose::Pose::total_residue(), and protocols::loops::tr().
Referenced by protocols::LoopRefine::apply(), auto_choose_cutpoint(), protocols::LoopRebuild::build_loop_with_ccd_closure(), protocols::abinitio::AbrelaxApplication::fold(), and protocols::protein_interface_design::movers::PlaceOnLoop::minimize_toward_stub().
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Definition at line 90 of file Loop.hh.
References cut_.
Referenced by protocols::loops::Loops::add_loop(), protocols::loops::Loops::add_overlap_loop(), protocols::loops::add_single_cutpoint_variant(), protocols::antibody2::H3PerturbCCD::apply(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::apply(), protocols::antibody2::RefineOneCDRLoop::apply(), protocols::grafting::AnchoredGraftMover::apply(), protocols::loops::loop_closure::ccd::CcdMover::apply(), protocols::forge::remodel::RemodelLoopMover::boost_closure_stage(), protocols::LoopRebuild::build_loop_with_ccd_closure(), protocols::swa::protein::StepWiseProteinCCD_Closer::CCD_loop_close(), protocols::ligand_docking::MinimizeBackbone::create_fold_tree_with_cutpoints(), protocols::loops::loop_mover::perturb::fast_ccd_close_loops(), protocols::forge::methods::fold_tree_from_loops(), protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::generate_window_list(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::get_loop_cut(), protocols::forge::remodel::RemodelLoopMover::independent_stage(), protocols::antibody2::H3RefineCCD::init(), protocols::swa::protein::StepWiseProteinLoopBridger::KIC_loop_close(), protocols::forge::remodel::RemodelLoopMover::loophash_stage(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD_Moves::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_CCD::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_KIC::model_loop(), protocols::loop_build::LoopMover_SlidingWindow::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD::model_loop(), operator<(), operator==(), protocols::loops::remove_missing_density(), protocols::ligand_docking::LigandBaseProtocol::reorder_foldtree_around_mobile_regions(), protocols::forge::remodel::RemodelLoopMover::repeat_generation(), protocols::forge::remodel::RemodelLoopMover::repeat_generation_with_additional_residue(), protocols::forge::remodel::RemodelLoopMover::repeat_propagation(), protocols::antibody::CDRH3Modeler::scored_frag_close(), protocols::loops::set_single_loop_fold_tree(), protocols::loops::loop_closure::ccd::ShortLoopClosure::ShortLoopClosure(), protocols::antibody2::simple_one_loop_fold_tree(), and protocols::antibody::simple_one_loop_fold_tree().
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Returns true if the loop's elements are decreasing.
Definition at line 114 of file Loop.hh.
References increasing().
| void protocols::loops::Loop::get_residues | ( | utility::vector1< Size > & | selection) | const |
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Returns true if the loop's elements are increasing.
Definition at line 109 of file Loop.hh.
References start(), and stop().
Referenced by decreasing(), and midpoint().
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Definition at line 87 of file Loop.hh.
References extended_.
Referenced by protocols::loops::Loops::add_overlap_loop(), protocols::loops::loop_mover::IndependentLoopMover::apply(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::get_loop_extended(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD_Moves::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_CCD::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_KIC::model_loop(), protocols::loop_build::LoopMover_SlidingWindow::model_loop(), and protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD::model_loop().
| bool protocols::loops::Loop::is_terminal | ( | core::pose::Pose const & | pose) | const |
Detect a terminal loop, logic is more complicated for multi-chain poses. Returns TRUE for terminal loops.
Definition at line 139 of file Loop.cc.
References core::pose::Pose::chain(), core::conformation::Residue::is_lower_terminus(), core::conformation::Residue::is_protein(), core::conformation::Residue::is_upper_terminus(), core::pose::Pose::residue(), start(), stop(), and core::pose::Pose::total_residue().
Referenced by protocols::forge::remodel::RemodelLoopMover::independent_stage(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_CCD::model_loop(), and protocols::loops::loop_mover::perturb::LoopMover_Perturb_KIC::model_loop().
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Assuming that the loop represents a contiguous stretch of residues, returns the length. Makes no assumptions about directionality. That is, Loop(3,8).length() == Loop(8,3).length(). Constant time procedure.
Definition at line 102 of file Loop.hh.
References start(), and stop().
Referenced by protocols::nonlocal::avg_ca_position(), protocols::hybridization::HybridizeFoldtreeDynamic::choose_anchor_position(), protocols::nonlocal::StarTreeBuilder::choose_anchor_position(), protocols::medal::chunk_probabilities(), protocols::nonlocal::decompose(), protocols::nonlocal::HelixRotate::get_rotation_parameters(), midpoint(), and protocols::antibody2::operator<<().
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Returns the midpoint of the loop.
Definition at line 119 of file Loop.hh.
References increasing(), length(), start(), and stop().
Referenced by protocols::nonlocal::HelixRotate::get_rotation_parameters().
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Definition at line 95 of file Loop.hh.
References start_.
Referenced by protocols::loops::find_non_protein_chunks(), protocols::abinitio::AbrelaxApplication::fold(), protocols::loops::Loops::grow_loop(), protocols::hybridization::FoldTreeHybridize::setup_foldtree(), protocols::loops::split_by_ca_ca_dist(), and protocols::loops::split_by_resSeq().
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Definition at line 96 of file Loop.hh.
References stop_.
Referenced by protocols::loops::find_non_protein_chunks(), protocols::loops::Loops::grow_loop(), protocols::loops::remove_small_gaps(), protocols::hybridization::FoldTreeHybridize::setup_foldtree(), protocols::loops::split_by_ca_ca_dist(), and protocols::loops::split_by_resSeq().
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Definition at line 91 of file Loop.hh.
Referenced by protocols::loops::loop_closure::ccd::ShortLoopClosure::apply(), protocols::loops::loop_mover::IndependentLoopMover::apply(), protocols::antibody2::H3PerturbCCD::apply(), protocols::hybridization::CartesianHybridize::apply_frag(), protocols::antibody::CDRH3Modeler::build_centroid_loop(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::get_loop_size(), protocols::loops::loop_closure::ccd::LoopClosure::init(), operator<(), operator==(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::sample_loops(), protocols::antibody::CDRH3Modeler::scored_frag_close(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop(), protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::select_final_loop(), protocols::loops::loop_closure::ccd::LoopClosure::set_cycles(), and protocols::loops::loop_closure::ccd::ShortLoopClosure::ShortLoopClosure().
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Definition at line 92 of file Loop.hh.
References skip_rate_.
Referenced by protocols::loops::Loops::add_overlap_loop(), and protocols::loops::loop_closure::ccd::CcdLoopClosureMover::get_loop_skip_rate().
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Definition at line 88 of file Loop.hh.
References start_.
Referenced by protocols::loops::Loops::add_loop(), protocols::loops::Loops::add_overlap_loop(), protocols::loops::loop_closure::ccd::ShortLoopClosure::apply(), protocols::nonlocal::SheetTranslate::apply(), protocols::loops::loop_mover::IndependentLoopMover::apply(), protocols::antibody2::RefineOneCDRLoopCentroid::apply(), protocols::antibody2::H3PerturbCCD::apply(), protocols::protein_interface_design::movers::LoopRemodel::apply(), protocols::loops::loop_closure::ccd::LoopClosure::apply(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::apply(), protocols::antibody2::RefineOneCDRLoop::apply(), protocols::loops::loop_closure::ccd::CcdMover::apply(), protocols::hybridization::CartesianHybridize::apply_frag(), protocols::nonlocal::avg_ca_position(), protocols::forge::remodel::RemodelLoopMover::boost_closure_stage(), protocols::comparative_modeling::bounded_loops_from_alignment(), protocols::loops::loop_closure::ccd::ShortLoopClosure::catch_fragment(), protocols::swa::protein::StepWiseProteinCCD_Closer::CCD_loop_close(), protocols::swa::protein::StepWiseProteinCCD_Closer::CCD_loop_close_sample_omega_recursively(), protocols::antibody2::CDR_H3_filter_legacy_code_with_old_rule(), protocols::hybridization::HybridizeFoldtreeDynamic::choose_anchor_position(), protocols::nonlocal::StarTreeBuilder::choose_anchor_position(), protocols::medal::chunk_probabilities(), protocols::nonlocal::chunks_by_CA_CA_distance(), protocols::rigid::RigidBodyMotionMover::compute_bias(), protocols::ligand_docking::MinimizeBackbone::create_fold_tree_with_cutpoints(), protocols::nonlocal::decompose(), protocols::nonlocal::SheetTranslate::decompose_structure(), protocols::nonlocal::HelixRotate::decompose_structure(), protocols::star::Extender::extend_unaligned(), protocols::loops::loop_mover::perturb::fast_ccd_close_loops(), protocols::forge::methods::fill_non_loop_cst_set(), protocols::abinitio::AbrelaxApplication::fold(), protocols::forge::methods::fold_tree_from_loops(), protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::generate_window_list(), protocols::antibody2::AntibodyInfo::get_CDR_Sequence_with_Stem(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::get_loop_start(), protocols::nonlocal::HelixRotate::get_rotation_parameters(), protocols::loophash::LoopHashLibrary::graft_loop(), protocols::loops::Loops::grow_loop(), protocols::loops::Loops::grow_loop_away_from_sheets(), protocols::loops::idealize_loop(), increasing(), protocols::forge::remodel::RemodelLoopMover::independent_stage(), protocols::antibody2::H3RefineCCD::init(), protocols::loops::loop_closure::ccd::LoopClosure::init(), protocols::loops::Loops::invert(), is_terminal(), protocols::nonlocal::SheetTranslate::is_valid(), protocols::nonlocal::HelixRotate::is_valid(), protocols::nonlocal::HelixRotate::jump_containing_helix(), protocols::nonlocal::SheetTranslate::jump_containing_sheet(), protocols::swa::protein::StepWiseProteinLoopBridger::KIC_loop_close(), length(), protocols::forge::remodel::RemodelLoopMover::loophash_stage(), protocols::forge::remodel::RemodelLoopMover::mark_loop_moveable(), midpoint(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD_Moves::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_CCD::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_KIC::model_loop(), protocols::loop_build::LoopMover_SlidingWindow::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD::model_loop(), protocols::loops::RationalLoopComparator::operator()(), protocols::loops::Loop_lt::operator()(), operator<(), operator==(), protocols::loops::remove_missing_density(), protocols::ligand_docking::LigandBaseProtocol::reorder_foldtree_around_mobile_regions(), protocols::forge::remodel::RemodelLoopMover::repeat_generation(), protocols::forge::remodel::RemodelLoopMover::repeat_generation_with_additional_residue(), protocols::forge::remodel::RemodelLoopMover::repeat_propagation(), protocols::forge::remodel::RemodelLoopMover::repeat_sync(), protocols::loops::loop_closure::ccd::WidthFirstSlidingWindowLoopClosure::sample_loops(), protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::sample_loops(), protocols::antibody::CDRH3Modeler::scored_frag_close(), protocols::loops::loop_closure::ccd::FASelectSlidingWindowLoopClosure::select_final_loop(), protocols::loops::loop_mover::LoopMover::set_extended_torsions(), protocols::loops::set_extended_torsions(), protocols::loops::set_extended_torsions_and_idealize_loops(), protocols::loops::set_move_map_for_centroid_loop(), protocols::loops::set_single_loop_fold_tree(), protocols::star::setup_constraints(), protocols::medal::setup_coordinate_constraints(), protocols::loops::loop_closure::ccd::ShortLoopClosure::ShortLoopClosure(), protocols::antibody2::simple_one_loop_fold_tree(), protocols::antibody::simple_one_loop_fold_tree(), and switch_movemap().
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Definition at line 89 of file Loop.hh.
References stop_.
Referenced by protocols::loops::Loops::add_loop(), protocols::loops::Loops::add_overlap_loop(), protocols::nonlocal::SheetTranslate::apply(), protocols::loops::loop_mover::IndependentLoopMover::apply(), protocols::antibody2::RefineOneCDRLoopCentroid::apply(), protocols::antibody2::H3PerturbCCD::apply(), protocols::protein_interface_design::movers::LoopRemodel::apply(), protocols::loops::loop_closure::ccd::LoopClosure::apply(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::apply(), protocols::antibody2::RefineOneCDRLoop::apply(), protocols::loops::loop_closure::ccd::CcdMover::apply(), protocols::hybridization::CartesianHybridize::apply_frag(), protocols::nonlocal::avg_ca_position(), protocols::forge::remodel::RemodelLoopMover::boost_closure_stage(), protocols::comparative_modeling::bounded_loops_from_alignment(), protocols::swa::protein::StepWiseProteinCCD_Closer::CCD_loop_close(), protocols::swa::protein::StepWiseProteinCCD_Closer::CCD_loop_close_sample_omega_recursively(), protocols::antibody2::CDR_H3_filter_legacy_code_with_old_rule(), protocols::hybridization::HybridizeFoldtreeDynamic::choose_anchor_position(), protocols::nonlocal::StarTreeBuilder::choose_anchor_position(), protocols::medal::chunk_probabilities(), protocols::nonlocal::chunks_by_CA_CA_distance(), protocols::rigid::RigidBodyMotionMover::compute_bias(), protocols::ligand_docking::MinimizeBackbone::create_fold_tree_with_cutpoints(), protocols::nonlocal::decompose(), protocols::nonlocal::SheetTranslate::decompose_structure(), protocols::nonlocal::HelixRotate::decompose_structure(), protocols::antibody2::AntibodyInfo::detect_and_set_camelid_CDR_H3_stem_type(), protocols::antibody2::AntibodyInfo::detect_and_set_regular_CDR_H3_stem_type(), protocols::antibody2::AntibodyInfo::detect_and_set_regular_CDR_H3_stem_type_new_rule(), protocols::star::Extender::extend_unaligned(), protocols::loops::loop_mover::perturb::fast_ccd_close_loops(), protocols::forge::methods::fill_non_loop_cst_set(), protocols::forge::methods::fold_tree_from_loops(), protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure::generate_window_list(), protocols::antibody2::AntibodyInfo::get_CDR_Sequence_with_Stem(), protocols::loops::loop_closure::ccd::CcdLoopClosureMover::get_loop_stop(), protocols::nonlocal::HelixRotate::get_rotation_parameters(), protocols::loophash::LoopHashLibrary::graft_loop(), protocols::loops::Loops::grow_loop(), protocols::loops::Loops::grow_loop_away_from_sheets(), protocols::loops::idealize_loop(), increasing(), protocols::forge::remodel::RemodelLoopMover::independent_stage(), protocols::antibody2::H3RefineCCD::init(), protocols::loops::loop_closure::ccd::LoopClosure::init(), protocols::loops::Loops::invert(), is_terminal(), protocols::nonlocal::SheetTranslate::is_valid(), protocols::nonlocal::HelixRotate::is_valid(), protocols::swa::protein::StepWiseProteinLoopBridger::KIC_loop_close(), length(), protocols::forge::remodel::RemodelLoopMover::loophash_stage(), protocols::forge::remodel::RemodelLoopMover::mark_loop_moveable(), midpoint(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD_Moves::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_CCD::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_KIC::model_loop(), protocols::loop_build::LoopMover_SlidingWindow::model_loop(), protocols::loops::loop_mover::perturb::LoopMover_Perturb_QuickCCD::model_loop(), protocols::loops::Loop_lt::operator()(), protocols::loops::remove_missing_density(), protocols::ligand_docking::LigandBaseProtocol::reorder_foldtree_around_mobile_regions(), protocols::forge::remodel::RemodelLoopMover::repeat_generation(), protocols::forge::remodel::RemodelLoopMover::repeat_generation_with_additional_residue(), protocols::forge::remodel::RemodelLoopMover::repeat_propagation(), protocols::forge::remodel::RemodelLoopMover::repeat_sync(), protocols::antibody::CDRH3Modeler::scored_frag_close(), protocols::loops::loop_mover::LoopMover::set_extended_torsions(), protocols::loops::set_extended_torsions(), protocols::loops::set_extended_torsions_and_idealize_loops(), protocols::loops::set_move_map_for_centroid_loop(), protocols::loops::set_single_loop_fold_tree(), protocols::nonlocal::StarTreeBuilder::set_up(), protocols::star::setup_constraints(), protocols::medal::setup_coordinate_constraints(), protocols::loops::loop_closure::ccd::ShortLoopClosure::ShortLoopClosure(), protocols::antibody2::simple_one_loop_fold_tree(), protocols::antibody::simple_one_loop_fold_tree(), switch_movemap(), and protocols::hybridization::HybridizeFoldtreeDynamic::update().
| void protocols::loops::Loop::switch_movemap | ( | core::kinematics::MoveMap & | movemap, |
| core::id::TorsionType | id, | ||
| bool | allow_moves = true |
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switch DOF_Type for residues in loop. id::CHI, id::BB — don't use with id::JUMP
Definition at line 46 of file Loop.cc.
References core::kinematics::MoveMap::set(), start(), and stop().
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Definition at line 158 of file Loop.hh.
Referenced by auto_choose_cutpoint(), choose_cutpoint(), cut(), protocols::loops::operator<<(), and set_cut().
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Definition at line 160 of file Loop.hh.
Referenced by is_extended(), protocols::loops::operator<<(), and set_extended().
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Definition at line 159 of file Loop.hh.
Referenced by protocols::loops::operator<<(), and skip_rate().
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Definition at line 156 of file Loop.hh.
Referenced by choose_cutpoint(), get_residues(), protocols::loops::operator<<(), set_start(), size(), and start().
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Definition at line 157 of file Loop.hh.
Referenced by choose_cutpoint(), get_residues(), protocols::loops::operator<<(), set_stop(), size(), and stop().
1.8.4