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Rosetta 3.5
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Classes | |
| class | DisulfTemplate |
| class | BaseDisulfPairingLibrary |
| class | DisulfPairingLibrary |
| class | StandardDisulfPairingLibrary |
| class | DisulfPairing |
| class | JumpSample |
| class | Interval |
| two numbers, i.e., jump start end residue, or cut-regions... More... | |
| class | BaseJumpSetup |
| virtual base class: can create a set of jumps and cuts More... | |
| class | JumpSetup |
| class | JumpsFromAllPairings |
| class | JumpSelector |
| class | MembraneJump |
| class | PairingTemplate |
| class | BasePairingLibrary |
| returns relative orientation of chains at res1 and res2 this is the inner product of the respective N-C vectors. More... | |
| class | PairingLibrary |
| class | SpecificGeometryLibrary |
| class | StandardPairingLibrary |
| class | RandomSheetBuilder |
| select jumps to build a given topology this class encapsulates the functionality of choose_random_pairings in jumping_pairings.cc of Rosetta++ More... | |
| class | ResiduePairJumpSingle |
| a single residue component of a ResiduePairJump class More... | |
| class | ResiduePairJump |
| class | ResiduePairJumpSetup |
| class | SameStrand |
| tiny helper class that knows the relative fractions of secondary structure L,H,E so far these fractions can be computed from a FragSet other input strategies are conceivable but not implemented, yet: eg. psipred files, a bunch of poses, More... | |
| class | SheetBuilder |
| select jumps to build a given topology this class encapsulates the functionality of choose_random_pairings in jumping_pairings.cc of Rosetta++ More... | |
Enumerations | |
| enum | cstType { disAB = 1, angleA, angleB, dihedralA, dihedralAB, dihedralB, num_cstType = dihedralB } |
| enum | dofType { rot1 = 1, rot2, cstJump, num_dofType = cstJump } |
Functions | |
| static numeric::random::RandomGenerator | RG (12345) |
| void | dis_get_coordinate_system (numeric::xyzMatrix_double const &p, numeric::xyzMatrix_double &m) |
| void | dis_get_ncac (FArray2A_float pos, numeric::xyzMatrix_double &p) |
| numeric::xyzMatrix_double | dis_get_ncac (FArray2A_float pos) |
| RT | dis_RT_from_epos (FArray2A_float Epos1, FArray2A_float Epos2) |
| void | read_pairing_list (std::string disulf_pairing_file, DisulfPairingsList &disulf_pairings) |
| void | read_disulf_pairing_list (std::istream &is, DisulfPairingsList &disulf_pairings) |
| add pairings in pairing_file to list "pairings" More... | |
| std::ostream & | operator<< (std::ostream &out, DisulfPairing const &) |
| list of pairings More... | |
| std::ostream & | operator<< (std::ostream &out, DisulfPairingsList const &p) |
| static basic::Tracer | tr ("protocols.jumping") |
| std::ostream & | operator<< (std::ostream &os, JumpSample const &t) |
| output operator More... | |
| static basic::Tracer | tr ("protocols.jumping") |
| void | dump_tags_ (FArray1D_int const &tags, Size nres, std::ostream &out) |
| void | fill_tags_ (FArray1D_int &tags, Size fill_pos, int tag, Size nres) |
| static numeric::random::RandomGenerator | RG (489134) |
| static basic::Tracer | tr ("protocols.jumping.MembraneJump") |
| static numeric::random::RandomGenerator | RG (750107) |
| static numeric::random::RandomGenerator | RG (9238) |
| void | get_coordinate_system (numeric::xyzMatrix_double const &p, numeric::xyzMatrix_double &m) |
| void | get_ncac (FArray2A_float pos, numeric::xyzMatrix_double &p) |
| numeric::xyzMatrix_double | get_ncac (FArray2A_float pos) |
| RT | RT_from_epos (FArray2A_float Epos1, FArray2A_float Epos2) |
| static basic::Tracer | tr ("protocols.jumping") |
| std::ostream & | operator<< (std::ostream &os, SameStrand const &t) |
| output operator More... | |
| static basic::Tracer | tr ("protocols.jumping") |
| void | close_chainbreaks (loops::loop_closure::ccd::SlidingWindowLoopClosureOP closure_protocol, Pose &open_pose, protocols::checkpoint::CheckPointer &checkpoint, const std::string &decoy_tag, core::kinematics::FoldTree const &final_fold_tree_in) |
| bool | remove_cut (Size cutpoint, Pose &pose, FoldTree const &final_fold_tree) |
| bool | remove_cut (Size cutpoint, FoldTree &new_fold_tree, FoldTree const &final_fold_tree) |
| void | safe_secstruct (pose::Pose &pose) |
| core::fragment::JumpingFrameOP | generate_empty_jump_frame (Size startpos, Size endpos, Size length) |
| core::fragment::JumpingFrameOP | generate_jump_frame (Size startpos, Size endpos, bool bWithTorsion) |
| void | get_CA_vectors (PointList const &ca1, PointList const &ca2, Vector &a, Vector &b, Vector &c) |
| void | get_pairing_geometry (pose::Pose const &pose, Size const res1, Size const res2, Real &orientation, Real &pleating1, Real &pleating2) |
| void | get_pleating (pose::Pose const &pose, Size const pos1, Size const pos2, Size &orientation, Size &pleating) |
| void | assign_ss_dssp (core::pose::Pose &pose) |
| Assign secondary structure using DSSP. More... | |
| bool | remove_cut (core::Size cutpoint, core::pose::Pose &pose, core::kinematics::FoldTree const &final_fold_tree=core::kinematics::FoldTree()) |
| bool | remove_cut (core::Size cutpoint, core::kinematics::FoldTree &fold_tree, core::kinematics::FoldTree const &final_fold_tree=core::kinematics::FoldTree()) |
| void | close_chainbreaks (loops::loop_closure::ccd::SlidingWindowLoopClosureOP closure_protocol, core::pose::Pose &pose, checkpoint::CheckPointer &checkpoint, const std::string &decoy_tag, core::kinematics::FoldTree const &final_fold_tree=core::kinematics::FoldTree()) |
Definition at line 34 of file JumpSetup.fwd.hh.
Definition at line 30 of file JumpSetup.fwd.hh.
| typedef utility::pointer::owning_ptr< BasePairingLibrary const > protocols::jumping::BasePairingLibraryCOP |
Definition at line 35 of file PairingLibrary.fwd.hh.
Definition at line 31 of file PairingLibrary.fwd.hh.
Definition at line 37 of file DisulfPairingsList.fwd.hh.
Definition at line 33 of file DisulfPairingsList.fwd.hh.
Definition at line 59 of file JumpSample.hh.
| typedef utility::pointer::owning_ptr< JumpSelector const > protocols::jumping::JumpSelectorCOP |
Definition at line 40 of file JumpSetup.fwd.hh.
Definition at line 39 of file JumpSetup.fwd.hh.
| typedef utility::pointer::owning_ptr< JumpSetup const > protocols::jumping::JumpSetupCOP |
Definition at line 37 of file JumpSetup.fwd.hh.
Definition at line 36 of file JumpSetup.fwd.hh.
Definition at line 28 of file MembraneJump.fwd.hh.
Definition at line 39 of file PairingLibrary.fwd.hh.
Definition at line 38 of file PairingLibrary.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJump const > protocols::jumping::ResiduePairJumpCOP |
Definition at line 39 of file ResiduePairJump.fwd.hh.
Definition at line 35 of file ResiduePairJump.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJumpSetup const > protocols::jumping::ResiduePairJumpSetupCOP |
Definition at line 39 of file ResiduePairJumpSetup.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJumpSetup > protocols::jumping::ResiduePairJumpSetupOP |
Definition at line 35 of file ResiduePairJumpSetup.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJumpSetupSingle const > protocols::jumping::ResiduePairJumpSetupSingleCOP |
Definition at line 32 of file ResiduePairJumpSetup.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJumpSetupSingle > protocols::jumping::ResiduePairJumpSetupSingleOP |
Definition at line 28 of file ResiduePairJumpSetup.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJumpSingle const > protocols::jumping::ResiduePairJumpSingleCOP |
Definition at line 32 of file ResiduePairJump.fwd.hh.
| typedef utility::pointer::owning_ptr< ResiduePairJumpSingle > protocols::jumping::ResiduePairJumpSingleOP |
Definition at line 28 of file ResiduePairJump.fwd.hh.
| typedef utility::pointer::owning_ptr< SameStrand const > protocols::jumping::SameStrandCOP |
Definition at line 32 of file SameStrand.fwd.hh.
Definition at line 28 of file SameStrand.fwd.hh.
| typedef utility::pointer::owning_ptr< StandardPairingLibrary const > protocols::jumping::StandardPairingLibraryCOP |
Definition at line 43 of file PairingLibrary.fwd.hh.
| typedef utility::pointer::owning_ptr< StandardPairingLibrary > protocols::jumping::StandardPairingLibraryOP |
Definition at line 42 of file PairingLibrary.fwd.hh.
| Enumerator | |
|---|---|
| disAB | |
| angleA | |
| angleB | |
| dihedralA | |
| dihedralAB | |
| dihedralB | |
| num_cstType | |
Definition at line 134 of file ResiduePairJump.hh.
| Enumerator | |
|---|---|
| rot1 | |
| rot2 | |
| cstJump | |
| num_dofType | |
Definition at line 144 of file ResiduePairJump.hh.
| void protocols::jumping::assign_ss_dssp | ( | core::pose::Pose & | pose) |
Assign secondary structure using DSSP.
Definition at line 475 of file util.cc.
References core::scoring::dssp::Dssp::insert_ss_into_pose().
| void protocols::jumping::close_chainbreaks | ( | loops::loop_closure::ccd::SlidingWindowLoopClosureOP | closure_protocol, |
| core::pose::Pose & | pose, | ||
| checkpoint::CheckPointer & | checkpoint, | ||
| const std::string & | decoy_tag, | ||
| core::kinematics::FoldTree const & | final_fold_tree = core::kinematics::FoldTree() |
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| ) |
| void protocols::jumping::close_chainbreaks | ( | loops::loop_closure::ccd::SlidingWindowLoopClosureOP | closure_protocol, |
| Pose & | open_pose, | ||
| protocols::checkpoint::CheckPointer & | checkpoint, | ||
| const std::string & | decoy_tag, | ||
| core::kinematics::FoldTree const & | final_fold_tree_in | ||
| ) |
Definition at line 82 of file util.cc.
References protocols::checkpoint::CheckPointer::checkpoint(), core::kinematics::FoldTree::cutpoint(), core::pose::Pose::fold_tree(), core::kinematics::MoveMap::get_bb(), core::kinematics::FoldTree::is_cutpoint(), core::kinematics::FoldTree::is_jump_point(), core::pose::symmetry::is_symmetric(), core::kinematics::FoldTree::nres(), core::kinematics::FoldTree::num_cutpoint(), protocols::checkpoint::CheckPointer::recover_checkpoint(), remove_cut(), core::conformation::symmetry::replaced_symmetric_foldtree_with_new_monomer(), core::kinematics::FoldTree::simple_tree(), core::kinematics::simple_visualize_fold_tree(), core::kinematics::simple_visualize_fold_tree_and_movemap(), core::pose::symmetry::symmetry_info(), core::pose::Pose::total_residue(), and tr().
Referenced by protocols::abinitio::AbrelaxMover::apply(), protocols::abinitio::KinematicAbinitio::apply(), protocols::abinitio::AbrelaxApplication::close_loops(), and protocols::loop_build::LoopMover_SlidingWindow::model_loop().
| void protocols::jumping::dis_get_coordinate_system | ( | numeric::xyzMatrix_double const & | p, |
| numeric::xyzMatrix_double & | m | ||
| ) |
Definition at line 114 of file DisulfPairingLibrary.cc.
Referenced by dis_RT_from_epos().
| void protocols::jumping::dis_get_ncac | ( | FArray2A_float | pos, |
| numeric::xyzMatrix_double & | p | ||
| ) |
Definition at line 132 of file DisulfPairingLibrary.cc.
References core::pack::dunbrack::c.
Referenced by dis_RT_from_epos().
| numeric::xyzMatrix_double protocols::jumping::dis_get_ncac | ( | FArray2A_float | pos) |
Definition at line 149 of file DisulfPairingLibrary.cc.
References core::pack::dunbrack::c.
| RT protocols::jumping::dis_RT_from_epos | ( | FArray2A_float | Epos1, |
| FArray2A_float | Epos2 | ||
| ) |
Definition at line 165 of file DisulfPairingLibrary.cc.
References dis_get_coordinate_system(), dis_get_ncac(), core::kinematics::RT::set_rotation(), and core::kinematics::RT::set_translation().
| void protocols::jumping::dump_tags_ | ( | FArray1D_int const & | tags, |
| Size | nres, | ||
| std::ostream & | out | ||
| ) |
Definition at line 164 of file JumpSetup.cc.
Referenced by protocols::jumping::JumpSelector::create_jump_sample().
Definition at line 185 of file JumpSetup.cc.
Referenced by protocols::jumping::JumpSelector::create_jump_sample().
| core::fragment::JumpingFrameOP protocols::jumping::generate_empty_jump_frame | ( | Size | startpos, |
| Size | endpos, | ||
| Size | length | ||
| ) |
Definition at line 306 of file util.cc.
Referenced by protocols::jumping::DisulfPairingLibrary::generate_jump_frags(), protocols::jumping::JumpSample::generate_jump_frags(), protocols::jumping::PairingLibrary::generate_jump_frags(), and generate_jump_frame().
| core::fragment::JumpingFrameOP protocols::jumping::generate_jump_frame | ( | Size | startpos, |
| Size | endpos, | ||
| bool | bWithTorsion | ||
| ) |
Definition at line 318 of file util.cc.
References generate_empty_jump_frame(), protocols::loops::start, and protocols::loops::stop.
| void protocols::jumping::get_CA_vectors | ( | PointList const & | ca1, |
| PointList const & | ca2, | ||
| Vector & | a, | ||
| Vector & | b, | ||
| Vector & | c | ||
| ) |
Definition at line 343 of file util.cc.
Referenced by get_pairing_geometry().
| void protocols::jumping::get_coordinate_system | ( | numeric::xyzMatrix_double const & | p, |
| numeric::xyzMatrix_double & | m | ||
| ) |
Definition at line 98 of file PairingLibrary.cc.
Referenced by RT_from_epos().
| void protocols::jumping::get_ncac | ( | FArray2A_float | pos, |
| numeric::xyzMatrix_double & | p | ||
| ) |
Definition at line 116 of file PairingLibrary.cc.
References core::pack::dunbrack::c.
Referenced by RT_from_epos().
| numeric::xyzMatrix_double protocols::jumping::get_ncac | ( | FArray2A_float | pos) |
Definition at line 133 of file PairingLibrary.cc.
References core::pack::dunbrack::c.
| void protocols::jumping::get_pairing_geometry | ( | pose::Pose const & | pose, |
| Size const | res1, | ||
| Size const | res2, | ||
| Real & | orientation, | ||
| Real & | pleating1, | ||
| Real & | pleating2 | ||
| ) |
Definition at line 367 of file util.cc.
References get_CA_vectors(), core::pose::Pose::residue_type(), core::pose::Pose::total_residue(), tr(), and core::pose::Pose::xyz().
Referenced by get_pleating().
| void protocols::jumping::get_pleating | ( | pose::Pose const & | pose, |
| Size const | pos1, | ||
| Size const | pos2, | ||
| Size & | orientation, | ||
| Size & | pleating | ||
| ) |
Definition at line 427 of file util.cc.
References get_pairing_geometry(), and tr().
Referenced by protocols::jumping::JumpSample::steal_orientation_and_pleating().
| std::ostream & protocols::jumping::operator<< | ( | std::ostream & | out, |
| DisulfPairing const & | p | ||
| ) |
list of pairings
Definition at line 100 of file DisulfPairingsList.cc.
References protocols::jumping::DisulfPairing::pos1, protocols::jumping::DisulfPairing::pos2, protocols::jumping::DisulfPairing::seq_sep, and protocols::jumping::DisulfPairing::ss_type.
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output operator
Definition at line 103 of file SameStrand.hh.
References protocols::jumping::SameStrand::show().
| std::ostream & protocols::jumping::operator<< | ( | std::ostream & | out, |
| DisulfPairingsList const & | p | ||
| ) |
Definition at line 106 of file DisulfPairingsList.cc.
| std::ostream & protocols::jumping::operator<< | ( | std::ostream & | os, |
| JumpSample const & | t | ||
| ) |
output operator
Definition at line 578 of file JumpSample.cc.
References protocols::jumping::JumpSample::cuts_, protocols::jumping::JumpSample::jumps_, and protocols::jumping::JumpSample::size().
| void protocols::jumping::read_disulf_pairing_list | ( | std::istream & | disulf_pairing_stream, |
| DisulfPairingsList & | disulf_pairings | ||
| ) |
add pairings in pairing_file to list "pairings"
Definition at line 80 of file DisulfPairingsList.cc.
References protocols::match::upstream::b, and core::pack::dunbrack::c.
Referenced by read_pairing_list().
| void protocols::jumping::read_pairing_list | ( | std::string | disulf_pairing_file, |
| DisulfPairingsList & | disulf_pairings | ||
| ) |
Definition at line 68 of file DisulfPairingsList.cc.
References read_disulf_pairing_list(), and tr().
Referenced by protocols::jumping::MembraneJump::init().
| bool protocols::jumping::remove_cut | ( | core::Size | cutpoint, |
| core::pose::Pose & | pose, | ||
| core::kinematics::FoldTree const & | final_fold_tree = core::kinematics::FoldTree() |
||
| ) |
| bool protocols::jumping::remove_cut | ( | core::Size | cutpoint, |
| core::kinematics::FoldTree & | fold_tree, | ||
| core::kinematics::FoldTree const & | final_fold_tree = core::kinematics::FoldTree() |
||
| ) |
| bool protocols::jumping::remove_cut | ( | Size | cutpoint, |
| Pose & | pose, | ||
| FoldTree const & | final_fold_tree | ||
| ) |
Definition at line 194 of file util.cc.
References core::pose::Pose::conformation(), core::pose::Pose::fold_tree(), core::conformation::idealize_position(), and tr().
Referenced by close_chainbreaks().
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Referenced by protocols::jumping::SheetBuilder::choose_next_pairing(), protocols::jumping::JumpSelector::create_jump_sample(), protocols::jumping::RandomSheetBuilder::create_new_random_topol(), protocols::jumping::SameStrand::do_same_strand(), protocols::jumping::PairingLibrary::get_random_beta_sheet_jump(), protocols::jumping::PairingLibrary::get_random_tmh_jump(), protocols::jumping::JumpSelector::select_random(), protocols::jumping::PairingLibrary::set_tmh_jump(), and protocols::jumping::MembraneJump::setup_fold_tree().
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| RT protocols::jumping::RT_from_epos | ( | FArray2A_float | Epos1, |
| FArray2A_float | Epos2 | ||
| ) |
Definition at line 149 of file PairingLibrary.cc.
References get_coordinate_system(), get_ncac(), core::kinematics::RT::set_rotation(), and core::kinematics::RT::set_translation().
Referenced by protocols::jumping::PairingLibrary::read_from_file().
| void protocols::jumping::safe_secstruct | ( | pose::Pose & | pose) |
Definition at line 284 of file util.cc.
References core::pose::Pose::fold_tree(), core::pose::Pose::secstruct(), core::pose::Pose::set_secstruct(), and core::pose::Pose::total_residue().
Referenced by protocols::abinitio::KinematicControl::prepare_pose_for_sampling().
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Referenced by protocols::jumping::JumpSample::add_chainbreaks(), protocols::jumping::JumpSample::add_chainbreaks_as_distance_constraint(), protocols::jumping::SheetBuilder::builder_loop(), close_chainbreaks(), protocols::jumping::SheetBuilder::create_jump_sample(), protocols::jumping::JumpSelector::create_jump_sample(), protocols::jumping::RandomSheetBuilder::create_new_random_topol(), protocols::jumping::JumpSample::generate_jump_frags(), protocols::jumping::ResiduePairJumpSetup::generate_jump_frags(), protocols::jumping::JumpSample::generate_jump_frames(), protocols::jumping::JumpSample::generate_random_tree_from_jumps(), get_pairing_geometry(), get_pleating(), protocols::jumping::JumpSample::JumpSample(), protocols::jumping::ResiduePairJumpSetup::read_file(), protocols::jumping::JumpSetup::read_file(), protocols::jumping::JumpSelector::read_file(), remove_cut(), protocols::jumping::JumpSample::steal_orientation_and_pleating(), and protocols::jumping::JumpSample::transfer_jumps().
1.8.4