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Rosetta
2021.16
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Classes | |
| class | BB_Pos |
| class | BetaAlphaBetaMotif |
| class | BetaAlphaBetaMotifSet |
| class | DimerPairing |
| class | DimerPairings |
| class | Helix |
| class | HelixPairing |
| class | HelixPairingSet |
| class | HSSTriplet |
| class | HSSTripletSet |
| class | Loop |
| class | Sheet |
| class | SheetFoldTypeManager |
| class | SheetSet |
| class | SS_Base |
| class | SS_Info2 |
| class | Strand |
| class | StrandPairing |
| class | StrandPairingSet |
| struct | TripletID |
Typedefs | |
| typedef utility::pointer::shared_ptr < BetaAlphaBetaMotif > | BetaAlphaBetaMotifOP |
| typedef utility::pointer::shared_ptr < BetaAlphaBetaMotif const > | BetaAlphaBetaMotifCOP |
| typedef utility::vector1 < BetaAlphaBetaMotifOP > | BetaAlphaBetaMotifs |
| typedef utility::pointer::shared_ptr < BetaAlphaBetaMotifSet > | BetaAlphaBetaMotifSetOP |
| typedef utility::pointer::shared_ptr < BetaAlphaBetaMotifSet const > | BetaAlphaBetaMotifSetCOP |
| typedef utility::pointer::shared_ptr < DimerPairing > | DimerPairingOP |
| typedef utility::pointer::shared_ptr < DimerPairing const > | DimerPairingCOP |
| typedef utility::pointer::shared_ptr < HelixPairing > | HelixPairingOP |
| typedef utility::pointer::shared_ptr < HelixPairingSet > | HelixPairingSetOP |
| typedef utility::pointer::shared_ptr < HelixPairing const > | HelixPairingCOP |
| typedef utility::pointer::shared_ptr < HelixPairingSet const > | HelixPairingSetCOP |
| typedef utility::vector1 < HelixPairingOP > | HelixPairings |
| typedef utility::pointer::shared_ptr < HSSTriplet > | HSSTripletOP |
| typedef utility::pointer::shared_ptr < HSSTripletSet > | HSSTripletSetOP |
| typedef utility::pointer::shared_ptr < HSSTriplet const > | HSSTripletCOP |
| typedef utility::pointer::shared_ptr < HSSTripletSet const > | HSSTripletSetCOP |
| typedef utility::vector1 < HSSTripletOP > | HSSTriplets |
| typedef HSSTriplets::const_iterator | HSSConstIterator |
| typedef HSSTriplets::iterator | HSSIterator |
| typedef utility::pointer::shared_ptr < Sheet > | SheetOP |
| typedef utility::pointer::shared_ptr < Sheet const > | SheetCOP |
| typedef utility::vector1< SheetOP > | Sheets |
| typedef utility::pointer::shared_ptr < SheetSet > | SheetSetOP |
| typedef utility::pointer::shared_ptr < SheetSet const > | SheetSetCOP |
| typedef utility::pointer::shared_ptr < SS_Base > | SS_BaseOP |
| typedef utility::pointer::shared_ptr < Helix > | HelixOP |
| typedef utility::pointer::shared_ptr < Strand > | StrandOP |
| typedef utility::pointer::shared_ptr < Loop > | LoopOP |
| typedef utility::pointer::shared_ptr < SS_Base const > | SS_BaseCOP |
| typedef utility::pointer::shared_ptr < Helix const > | HelixCOP |
| typedef utility::pointer::shared_ptr < Strand const > | StrandCOP |
| typedef utility::pointer::shared_ptr < Loop const > | LoopCOP |
| typedef utility::vector1< HelixOP > | Helices |
| typedef utility::vector1 < StrandOP > | Strands |
| typedef utility::vector1< LoopOP > | Loops |
| typedef utility::pointer::shared_ptr < SS_Info2 > | SS_Info2_OP |
| typedef utility::pointer::shared_ptr < SS_Info2 const > | SS_Info2_COP |
| typedef utility::pointer::shared_ptr < StrandPairing > | StrandPairingOP |
| typedef utility::pointer::shared_ptr < StrandPairingSet > | StrandPairingSetOP |
| typedef utility::pointer::shared_ptr < StrandPairing const > | StrandPairingCOP |
| typedef utility::pointer::shared_ptr < StrandPairingSet const > | StrandPairingSetCOP |
| typedef utility::vector1 < StrandPairingOP > | StrandPairings |
| typedef utility::vector1 < StrandPairingCOP > | StrandPairingCOPs |
Enumerations | |
| enum | SheetFoldType : char { BABx1 = 1, RosI, RosO, BABx2, Thio, BFr, EFr, CFr, DFr, Rsmn2x2, Rsmn3x3_Half, BABx3, PG_like, Thioredoxin, BAB_CFr, DFr_BAB, BEFr, Fd_like, RFd_like, CDFr, HPN_CFr, DFr_HPN, Flavodoxin, Ploop2x3, RNAseH, Top7, Rsmn3x3, Ploop3x3, UNFOLD, NO_STRANDS, UNKNOWN, n_fold_types = UNKNOWN } |
| List of topologies determined by strand pairings. More... | |
Functions | |
| std::ostream & | operator<< (std::ostream &out, const BetaAlphaBetaMotif &s) |
| IO operator. More... | |
| bool | compare (std::map< core::Size, Real >::const_iterator a, std::map< core::Size, Real >::const_iterator b) |
| std::ostream & | operator<< (std::ostream &out, const BetaAlphaBetaMotifSet &s) |
| std::ostream & | operator<< (std::ostream &out, const DimerPairing &dp) |
| bool | pointer_sorter (DimerPairingCOP const a, DimerPairingCOP const b) |
| std::ostream & | operator<< (std::ostream &out, const DimerPairings &dps) |
| std::ostream & | operator<< (std::ostream &out, const HelixPairing &hp) |
| return name More... | |
| std::ostream & | operator<< (std::ostream &out, const HelixPairingSet &s) |
| return helix pairing More... | |
| std::ostream & | operator<< (std::ostream &os, TripletID const &id) |
| std::ostream & | operator<< (std::ostream &out, const HSSTriplet &s) |
| IO Operator. More... | |
| std::ostream & | operator<< (std::ostream &out, const HSSTripletSet &s) |
| IO Operator. More... | |
| std::ostream & | operator<< (std::ostream &out, const Sheet &s) |
| return strand pairing More... | |
| std::ostream & | operator<< (std::ostream &out, const SheetSet &s) |
| return strand pairing More... | |
| std::ostream & | operator<< (std::ostream &out, const Strand &st) |
| std::ostream & | operator<< (std::ostream &out, const Helix &hx) |
| std::ostream & | operator<< (std::ostream &out, const Loop &lp) |
| std::ostream & | operator<< (std::ostream &out, const SS_Info2 &ssinfo) |
| std::ostream & | operator<< (std::ostream &out, const StrandPairing &sp) |
| return name More... | |
| std::set< core::Size > | compute_bulges (core::Size const strand_begin, core::Size const strand_end, utility::vector1< String > const &abego) |
| std::ostream & | operator<< (std::ostream &out, const StrandPairingSet &s) |
| output detail of strand pairing set More... | |
| bool | pointer_sorter (StrandPairingCOP const a, StrandPairingCOP const b) |
| bool | sort_by_length (protocols::fldsgn::topology::StrandPairingCOP const a, protocols::fldsgn::topology::StrandPairingCOP const b) |
| protocols::fldsgn::topology::StrandPairingSet | calc_strand_pairing_set (core::pose::Pose const &pose, protocols::fldsgn::topology::SS_Info2_COP const ssinfo, core::Size minimum_pair_length) |
| convert StrandParingSet of dssp to fldsgn::topology::StrandPairingSet More... | |
| core::Real | calc_delta_sasa (core::pose::Pose const &pose, utility::vector1< protocols::forge::build::Interval > intervals, Real const pore_radius) |
| calc delta sasa, when a molecule is splited to 2parts. More... | |
| core::Size | check_kink_helix (core::pose::Pose const &pose, core::Size const begin, core::Size const end) |
| check kink of helix, return number of loosen hydrogen More... | |
| utility::vector1 < core::scoring::hbonds::HBond > | check_internal_hbonds (core::pose::Pose const &pose, core::Size const begin, core::Size const end) |
| check kink of helix, return number of loosen hydrogen More... | |
| core::Real | calc_strand_helix_angle (core::pose::Pose const &pose, protocols::fldsgn::topology::SS_Info2_COP const ssinfo, core::Size const strand_id1, core::Size const strand_id2, core::Size const helix_id, std::string const &geom_type) |
| typedef utility::pointer::shared_ptr< BetaAlphaBetaMotif const > protocols::fldsgn::topology::BetaAlphaBetaMotifCOP |
| typedef utility::pointer::shared_ptr< BetaAlphaBetaMotif > protocols::fldsgn::topology::BetaAlphaBetaMotifOP |
| typedef utility::vector1< BetaAlphaBetaMotifOP > protocols::fldsgn::topology::BetaAlphaBetaMotifs |
| typedef utility::pointer::shared_ptr< BetaAlphaBetaMotifSet const > protocols::fldsgn::topology::BetaAlphaBetaMotifSetCOP |
| typedef utility::pointer::shared_ptr< BetaAlphaBetaMotifSet > protocols::fldsgn::topology::BetaAlphaBetaMotifSetOP |
| typedef utility::pointer::shared_ptr< DimerPairing const > protocols::fldsgn::topology::DimerPairingCOP |
| typedef utility::pointer::shared_ptr< DimerPairing > protocols::fldsgn::topology::DimerPairingOP |
| typedef utility::vector1< HelixOP > protocols::fldsgn::topology::Helices |
| typedef utility::pointer::shared_ptr< Helix const > protocols::fldsgn::topology::HelixCOP |
| typedef utility::pointer::shared_ptr< Helix > protocols::fldsgn::topology::HelixOP |
| typedef utility::pointer::shared_ptr< HelixPairing const > protocols::fldsgn::topology::HelixPairingCOP |
| typedef utility::pointer::shared_ptr< HelixPairing > protocols::fldsgn::topology::HelixPairingOP |
| typedef utility::vector1< HelixPairingOP > protocols::fldsgn::topology::HelixPairings |
| typedef utility::pointer::shared_ptr< HelixPairingSet const > protocols::fldsgn::topology::HelixPairingSetCOP |
| typedef utility::pointer::shared_ptr< HelixPairingSet > protocols::fldsgn::topology::HelixPairingSetOP |
| typedef HSSTriplets::const_iterator protocols::fldsgn::topology::HSSConstIterator |
| typedef HSSTriplets::iterator protocols::fldsgn::topology::HSSIterator |
| typedef utility::pointer::shared_ptr< HSSTriplet const > protocols::fldsgn::topology::HSSTripletCOP |
| typedef utility::pointer::shared_ptr< HSSTriplet > protocols::fldsgn::topology::HSSTripletOP |
| typedef utility::vector1< HSSTripletOP > protocols::fldsgn::topology::HSSTriplets |
| typedef utility::pointer::shared_ptr< HSSTripletSet const > protocols::fldsgn::topology::HSSTripletSetCOP |
| typedef utility::pointer::shared_ptr< HSSTripletSet > protocols::fldsgn::topology::HSSTripletSetOP |
| typedef utility::pointer::shared_ptr< Loop const > protocols::fldsgn::topology::LoopCOP |
| typedef utility::pointer::shared_ptr< Loop > protocols::fldsgn::topology::LoopOP |
| typedef utility::vector1< LoopOP > protocols::fldsgn::topology::Loops |
| typedef utility::pointer::shared_ptr< Sheet const > protocols::fldsgn::topology::SheetCOP |
| typedef utility::pointer::shared_ptr< Sheet > protocols::fldsgn::topology::SheetOP |
| typedef utility::vector1< SheetOP > protocols::fldsgn::topology::Sheets |
| typedef utility::pointer::shared_ptr< SheetSet const > protocols::fldsgn::topology::SheetSetCOP |
| typedef utility::pointer::shared_ptr< SheetSet > protocols::fldsgn::topology::SheetSetOP |
| typedef utility::pointer::shared_ptr< SS_Base const > protocols::fldsgn::topology::SS_BaseCOP |
| typedef utility::pointer::shared_ptr< SS_Base > protocols::fldsgn::topology::SS_BaseOP |
| typedef utility::pointer::shared_ptr< SS_Info2 const > protocols::fldsgn::topology::SS_Info2_COP |
| typedef utility::pointer::shared_ptr< SS_Info2 > protocols::fldsgn::topology::SS_Info2_OP |
| typedef utility::pointer::shared_ptr< Strand const > protocols::fldsgn::topology::StrandCOP |
| typedef utility::pointer::shared_ptr< Strand > protocols::fldsgn::topology::StrandOP |
| typedef utility::pointer::shared_ptr< StrandPairing const > protocols::fldsgn::topology::StrandPairingCOP |
| typedef utility::vector1< StrandPairingCOP > protocols::fldsgn::topology::StrandPairingCOPs |
| typedef utility::pointer::shared_ptr< StrandPairing > protocols::fldsgn::topology::StrandPairingOP |
| typedef utility::vector1< StrandPairingOP > protocols::fldsgn::topology::StrandPairings |
| typedef utility::pointer::shared_ptr< StrandPairingSet const > protocols::fldsgn::topology::StrandPairingSetCOP |
| typedef utility::pointer::shared_ptr< StrandPairingSet > protocols::fldsgn::topology::StrandPairingSetOP |
| typedef utility::vector1< StrandOP > protocols::fldsgn::topology::Strands |
| enum protocols::fldsgn::topology::SheetFoldType : char |
List of topologies determined by strand pairings.
| core::Real protocols::fldsgn::topology::calc_delta_sasa | ( | core::pose::Pose const & | pose, |
| utility::vector1< protocols::forge::build::Interval > | intervals, | ||
| Real const | pore_radius | ||
| ) |
calc delta sasa, when a molecule is splited to 2parts.
References core::scoring::calc_per_atom_sasa(), core::pose::initialize_atomid_map(), core::sequence::left, core::id::AtomID_Map< T >::set(), and core::pose::Pose::size().
| core::Real protocols::fldsgn::topology::calc_strand_helix_angle | ( | core::pose::Pose const & | pose, |
| protocols::fldsgn::topology::SS_Info2_COP const | ssinfo, | ||
| core::Size const | strand_id1, | ||
| core::Size const | strand_id2, | ||
| core::Size const | helix_id, | ||
| std::string const & | geom_type | ||
| ) |
| protocols::fldsgn::topology::StrandPairingSet protocols::fldsgn::topology::calc_strand_pairing_set | ( | core::pose::Pose const & | pose, |
| protocols::fldsgn::topology::SS_Info2_COP const | ssinfo, | ||
| core::Size | minimum_pair_length | ||
| ) |
convert StrandParingSet of dssp to fldsgn::topology::StrandPairingSet
References core::scoring::dssp::StrandPairing::antiparallel(), core::scoring::dssp::StrandPairing::begin1(), protocols::simple_filters::dssp(), core::scoring::dssp::StrandPairing::end1(), protocols::fldsgn::topology::StrandPairingSet::finalize(), core::scoring::dssp::StrandPairing::get_pair(), core::scoring::dssp::StrandPairing::get_pleating(), protocols::fldsgn::topology::StrandPairingSet::push_back(), core::scoring::dssp::StrandPairingSet::size(), core::scoring::dssp::StrandPairingSet::strand_pairing(), core::scoring::dssp::Dssp::strand_pairing_set(), and TR().
Referenced by protocols::denovo_design::components::SheetDB::add_sheets_from_pose(), protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter::compute(), protocols::fldsgn::filters::SheetTopologyFilter::compute(), protocols::denovo_design::components::find_orientations_and_lengths(), protocols::denovo_design::components::prune_unpaired_residues(), protocols::fldsgn::NcontactsCalculator::recompute(), and protocols::denovo_design::components::reorder_chains().
| utility::vector1< core::scoring::hbonds::HBond > protocols::fldsgn::topology::check_internal_hbonds | ( | core::pose::Pose const & | pose, |
| core::Size const | begin, | ||
| core::Size const | end | ||
| ) |
check kink of helix, return number of loosen hydrogen
References core::scoring::Energies::data(), core::pose::Pose::energies(), and core::scoring::EnergiesCacheableDataType::HBOND_SET.
| core::Size protocols::fldsgn::topology::check_kink_helix | ( | core::pose::Pose const & | pose, |
| core::Size const | begin, | ||
| core::Size const | end | ||
| ) |
check kink of helix, return number of loosen hydrogen
References core::scoring::Energies::data(), core::sequence::end, core::pose::Pose::energies(), core::scoring::EnergiesCacheableDataType::HBOND_SET, and TR().
Referenced by protocols::fldsgn::filters::HelixKinkFilter::apply().
| bool protocols::fldsgn::topology::compare | ( | std::map< core::Size, Real >::const_iterator | a, |
| std::map< core::Size, Real >::const_iterator | b | ||
| ) |
Referenced by protocols::match::downstream::SecondaryMatcherToDownstreamResidue::build_hits_at_all_positions(), protocols::match::downstream::SecondaryMatcherToUpstreamResidue::build_hits_at_all_positions(), protocols::fldsgn::topology::BetaAlphaBetaMotif::calc_helix_cycle(), protocols::mpi_refinement::Scheduler::read_cmd(), and core::scoring::rna::RNA_TorsionPotential::RNA_TorsionPotential().
| std::set< core::Size > protocols::fldsgn::topology::compute_bulges | ( | core::Size const | strand_begin, |
| core::Size const | strand_end, | ||
| utility::vector1< String > const & | abego | ||
| ) |
References protocols::fldsgn::TR().
Referenced by protocols::fldsgn::topology::StrandPairing::redefine_begin_end().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | os, |
| TripletID const & | id | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const DimerPairing & | dp | ||
| ) |
References protocols::comparative_modeling::features::A, protocols::fldsgn::topology::DimerPairing::dist(), protocols::fldsgn::topology::DimerPairing::dp(), core::chemical::element::F, core::chemical::element::I, protocols::fldsgn::topology::DimerPairing::orient(), core::conformation::membrane::out, protocols::fldsgn::topology::DimerPairing::phi(), protocols::fldsgn::topology::DimerPairing::res1(), protocols::fldsgn::topology::DimerPairing::res2(), protocols::fldsgn::topology::DimerPairing::score(), protocols::fldsgn::topology::DimerPairing::sigma(), protocols::fldsgn::topology::DimerPairing::sign1(), protocols::fldsgn::topology::DimerPairing::sign2(), and protocols::fldsgn::topology::DimerPairing::theta().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HSSTriplet & | s | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Sheet & | s | ||
| ) |
return strand pairing
References protocols::forge::methods::order(), protocols::fldsgn::topology::Sheet::order_strands(), protocols::fldsgn::topology::Sheet::orient_strands(), and core::conformation::membrane::out.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const BetaAlphaBetaMotif & | s | ||
| ) |
IO operator.
IO Operator.
References protocols::fldsgn::topology::BetaAlphaBetaMotif::cross_over(), protocols::fldsgn::topology::BetaAlphaBetaMotif::helix(), protocols::fldsgn::topology::BetaAlphaBetaMotif::helix_cycle_as_string(), protocols::fldsgn::topology::BetaAlphaBetaMotif::hs1_dist(), protocols::fldsgn::topology::BetaAlphaBetaMotif::hs2_dist(), protocols::fldsgn::topology::BetaAlphaBetaMotif::hs_angle(), protocols::fldsgn::topology::BetaAlphaBetaMotif::hsheet_dist(), protocols::fldsgn::topology::BetaAlphaBetaMotif::hsheet_elev_angle(), protocols::fldsgn::topology::BetaAlphaBetaMotif::is_lefthanded(), core::conformation::membrane::out, protocols::fldsgn::topology::BetaAlphaBetaMotif::strand1(), and protocols::fldsgn::topology::BetaAlphaBetaMotif::strand2().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Strand & | st | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HelixPairing & | hp | ||
| ) |
return name
return strand pairing
References protocols::comparative_modeling::features::A, protocols::fldsgn::topology::HelixPairing::align_angle(), protocols::fldsgn::topology::HelixPairing::cross_angle(), protocols::fldsgn::topology::HelixPairing::dist(), core::chemical::element::F, protocols::fldsgn::topology::HelixPairing::name(), and core::conformation::membrane::out.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const DimerPairings & | dps | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const StrandPairing & | sp | ||
| ) |
return name
return strand pairing
References protocols::fldsgn::topology::StrandPairing::begin1(), protocols::fldsgn::topology::StrandPairing::begin2(), protocols::fldsgn::topology::StrandPairing::end1(), protocols::fldsgn::topology::StrandPairing::end2(), protocols::fldsgn::topology::StrandPairing::name(), and core::conformation::membrane::out.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Helix & | hx | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Loop & | lp | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HelixPairingSet & | s | ||
| ) |
return helix pairing
return strand pairing
References protocols::fldsgn::topology::HelixPairingSet::helix_pairings(), protocols::fldsgn::topology::HelixPairingSet::name(), and core::conformation::membrane::out.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HSSTripletSet & | s | ||
| ) |
IO Operator.
References protocols::fldsgn::topology::HSSTripletSet::hss_triplets(), and core::conformation::membrane::out.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const SheetSet & | s | ||
| ) |
return strand pairing
References protocols::fldsgn::topology::SheetSet::num_sheets(), core::conformation::membrane::out, and protocols::fldsgn::topology::SheetSet::sheet().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const SS_Info2 & | ssinfo | ||
| ) |
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const StrandPairingSet & | s | ||
| ) |
output detail of strand pairing set
return strand pairing
References protocols::fldsgn::topology::StrandPairingSet::name(), core::conformation::membrane::out, and protocols::fldsgn::topology::StrandPairingSet::strand_pairings().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const BetaAlphaBetaMotifSet & | s | ||
| ) |
| bool protocols::fldsgn::topology::pointer_sorter | ( | DimerPairingCOP const | a, |
| DimerPairingCOP const | b | ||
| ) |
| bool protocols::fldsgn::topology::pointer_sorter | ( | StrandPairingCOP const | a, |
| StrandPairingCOP const | b | ||
| ) |
| bool protocols::fldsgn::topology::sort_by_length | ( | protocols::fldsgn::topology::StrandPairingCOP const | a, |
| protocols::fldsgn::topology::StrandPairingCOP const | b | ||
| ) |
1.8.7