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Rosetta 3.5
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Classes | |
| class | BB_Pos |
| class | BetaAlphaBetaMotif |
| class | BetaAlphaBetaMotifSet |
| class | DimerPairing |
| class | DimerPairings |
| class | HelixPairing |
| class | HelixPairingSet |
| class | HSSTriplet |
| class | HSSTripletSet |
| class | Sheet |
| class | SheetSet |
| class | SheetFoldTypeManager |
| class | SS_Base |
| class | Strand |
| class | Helix |
| class | Loop |
| class | SS_Info2 |
| class | StrandPairing |
| class | StrandPairingSet |
Enumerations | |
| enum | SheetFoldType { 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< Size, Real >::const_iterator a, std::map< 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 &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::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... | |
| typedef utility::pointer::owning_ptr< BetaAlphaBetaMotif const > protocols::fldsgn::topology::BetaAlphaBetaMotifCOP |
Definition at line 31 of file BetaAlphaBetaMotif.fwd.hh.
| typedef utility::pointer::owning_ptr< BetaAlphaBetaMotif > protocols::fldsgn::topology::BetaAlphaBetaMotifOP |
Definition at line 28 of file BetaAlphaBetaMotif.fwd.hh.
Definition at line 33 of file BetaAlphaBetaMotif.fwd.hh.
| typedef utility::pointer::owning_ptr< BetaAlphaBetaMotifSet const > protocols::fldsgn::topology::BetaAlphaBetaMotifSetCOP |
Definition at line 35 of file BetaAlphaBetaMotif.fwd.hh.
| typedef utility::pointer::owning_ptr< BetaAlphaBetaMotifSet > protocols::fldsgn::topology::BetaAlphaBetaMotifSetOP |
Definition at line 34 of file BetaAlphaBetaMotif.fwd.hh.
| typedef utility::pointer::owning_ptr< DimerPairing const > protocols::fldsgn::topology::DimerPairingCOP |
Definition at line 29 of file DimerPairing.fwd.hh.
Definition at line 27 of file DimerPairing.fwd.hh.
Definition at line 45 of file SS_Info2.fwd.hh.
| typedef utility::pointer::owning_ptr< Helix const > protocols::fldsgn::topology::HelixCOP |
Definition at line 40 of file SS_Info2.fwd.hh.
Definition at line 35 of file SS_Info2.fwd.hh.
| typedef utility::pointer::owning_ptr< HelixPairing const > protocols::fldsgn::topology::HelixPairingCOP |
Definition at line 29 of file HelixPairing.fwd.hh.
Definition at line 25 of file HelixPairing.fwd.hh.
Definition at line 31 of file HelixPairing.fwd.hh.
| typedef utility::pointer::owning_ptr< HelixPairingSet const > protocols::fldsgn::topology::HelixPairingSetCOP |
Definition at line 30 of file HelixPairing.fwd.hh.
| typedef utility::pointer::owning_ptr< HelixPairingSet > protocols::fldsgn::topology::HelixPairingSetOP |
Definition at line 28 of file HelixPairing.fwd.hh.
| typedef HSSTriplets::const_iterator protocols::fldsgn::topology::HSSConstIterator |
Definition at line 33 of file HSSTriplet.fwd.hh.
| typedef HSSTriplets::iterator protocols::fldsgn::topology::HSSIterator |
Definition at line 34 of file HSSTriplet.fwd.hh.
Definition at line 29 of file HSSTriplet.fwd.hh.
Definition at line 25 of file HSSTriplet.fwd.hh.
Definition at line 31 of file HSSTriplet.fwd.hh.
| typedef utility::pointer::owning_ptr< HSSTripletSet const > protocols::fldsgn::topology::HSSTripletSetCOP |
Definition at line 30 of file HSSTriplet.fwd.hh.
Definition at line 28 of file HSSTriplet.fwd.hh.
| typedef utility::pointer::owning_ptr< Loop const > protocols::fldsgn::topology::LoopCOP |
Definition at line 42 of file SS_Info2.fwd.hh.
Definition at line 37 of file SS_Info2.fwd.hh.
Definition at line 47 of file SS_Info2.fwd.hh.
| typedef utility::pointer::owning_ptr< Sheet const > protocols::fldsgn::topology::SheetCOP |
Definition at line 30 of file Sheet.fwd.hh.
Definition at line 23 of file SheetFoldTypeManager.fwd.hh.
Definition at line 27 of file Sheet.fwd.hh.
Definition at line 31 of file Sheet.fwd.hh.
| typedef utility::pointer::owning_ptr< SheetSet const > protocols::fldsgn::topology::SheetSetCOP |
Definition at line 33 of file Sheet.fwd.hh.
Definition at line 32 of file Sheet.fwd.hh.
| typedef utility::pointer::owning_ptr< SS_Base const > protocols::fldsgn::topology::SS_BaseCOP |
Definition at line 39 of file SS_Info2.fwd.hh.
Definition at line 32 of file SS_Info2.fwd.hh.
Definition at line 50 of file SS_Info2.fwd.hh.
Definition at line 49 of file SS_Info2.fwd.hh.
| typedef utility::pointer::owning_ptr< Strand const > protocols::fldsgn::topology::StrandCOP |
Definition at line 41 of file SS_Info2.fwd.hh.
Definition at line 36 of file SS_Info2.fwd.hh.
| typedef utility::pointer::owning_ptr< StrandPairing const > protocols::fldsgn::topology::StrandPairingCOP |
Definition at line 30 of file StrandPairing.fwd.hh.
Definition at line 26 of file StrandPairing.fwd.hh.
Definition at line 32 of file StrandPairing.fwd.hh.
| typedef utility::pointer::owning_ptr< StrandPairingSet const > protocols::fldsgn::topology::StrandPairingSetCOP |
Definition at line 31 of file StrandPairing.fwd.hh.
| typedef utility::pointer::owning_ptr< StrandPairingSet > protocols::fldsgn::topology::StrandPairingSetOP |
Definition at line 29 of file StrandPairing.fwd.hh.
Definition at line 46 of file SS_Info2.fwd.hh.
List of topologies determined by strand pairings.
Definition at line 37 of file SheetFoldTypeManager.hh.
| 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.
Definition at line 153 of file util.cc.
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::total_residue().
| 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
Definition at line 58 of file util.cc.
References core::scoring::dssp::StrandPairing::antiparallel(), core::scoring::dssp::StrandPairing::begin1(), 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 core::TR().
Referenced by protocols::fldsgn::filters::SheetTopologyFilter::apply(), protocols::fldsgn::filters::ParallelBetaPairingPreferenceFilter::compute(), and protocols::fldsgn::NcontactsCalculator::recompute().
| 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
Definition at line 274 of file util.cc.
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
Definition at line 248 of file util.cc.
References core::scoring::Energies::data(), core::sequence::end, core::pose::Pose::energies(), core::scoring::EnergiesCacheableDataType::HBOND_SET, and core::TR().
Referenced by protocols::fldsgn::filters::HelixKinkFilter::apply().
| bool protocols::fldsgn::topology::compare | ( | std::map< Size, Real >::const_iterator | a, |
| std::map< Size, Real >::const_iterator | b | ||
| ) |
Definition at line 191 of file BetaAlphaBetaMotif.cc.
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::frag_picker::quota::QuotaConfig::get_fraction(), protocols::frag_picker::quota::QuotaConfig::is_valid_quota_pool_name(), protocols::sparta::GDB::loadGDB(), protocols::features::RotamerRecoveryFeatures::parse_my_tag(), and core::scoring::rna::RNA_TorsionPotential::RNA_TorsionPotential().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HSSTriplet & | s | ||
| ) |
IO Operator.
Definition at line 62 of file HSSTriplet.cc.
References protocols::fldsgn::topology::HSSTriplet::helix(), protocols::fldsgn::topology::HSSTriplet::strand1(), and protocols::fldsgn::topology::HSSTriplet::strand2().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const DimerPairing & | dp | ||
| ) |
Definition at line 87 of file DimerPairing.cc.
References protocols::comparative_modeling::features::A, protocols::fldsgn::topology::DimerPairing::dist(), protocols::fldsgn::topology::DimerPairing::dp(), protocols::fldsgn::topology::DimerPairing::orient(), 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 Sheet & | s | ||
| ) |
return strand pairing
Definition at line 104 of file Sheet.cc.
References protocols::forge::methods::order(), protocols::fldsgn::topology::Sheet::order_strands(), and protocols::fldsgn::topology::Sheet::orient_strands().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const BetaAlphaBetaMotif & | s | ||
| ) |
IO operator.
IO Operator.
Definition at line 109 of file BetaAlphaBetaMotif.cc.
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(), protocols::fldsgn::topology::BetaAlphaBetaMotif::strand1(), and protocols::fldsgn::topology::BetaAlphaBetaMotif::strand2().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Strand & | st | ||
| ) |
Definition at line 116 of file SS_Info2.cc.
References protocols::fldsgn::topology::SS_Base::begin(), and protocols::fldsgn::topology::SS_Base::end().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HelixPairing & | hp | ||
| ) |
return name
return strand pairing
Definition at line 130 of file HelixPairing.cc.
References protocols::comparative_modeling::features::A, protocols::fldsgn::topology::HelixPairing::align_angle(), protocols::fldsgn::topology::HelixPairing::cross_angle(), protocols::fldsgn::topology::HelixPairing::dist(), and protocols::fldsgn::topology::HelixPairing::name().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const DimerPairings & | dps | ||
| ) |
Definition at line 154 of file DimerPairing.cc.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Helix & | hx | ||
| ) |
Definition at line 174 of file SS_Info2.cc.
References protocols::fldsgn::topology::SS_Base::begin(), and protocols::fldsgn::topology::SS_Base::end().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const StrandPairing & | sp | ||
| ) |
return name
return strand pairing
Definition at line 179 of file StrandPairing.cc.
References protocols::fldsgn::topology::StrandPairing::begin1(), protocols::fldsgn::topology::StrandPairing::begin2(), protocols::fldsgn::topology::StrandPairing::end1(), protocols::fldsgn::topology::StrandPairing::end2(), and protocols::fldsgn::topology::StrandPairing::name().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const Loop & | lp | ||
| ) |
Definition at line 259 of file SS_Info2.cc.
References protocols::fldsgn::topology::SS_Base::begin(), protocols::fldsgn::topology::SS_Base::end(), and protocols::fldsgn::topology::Loop::type().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HelixPairingSet & | s | ||
| ) |
return helix pairing
return strand pairing
Definition at line 267 of file HelixPairing.cc.
References protocols::fldsgn::topology::HelixPairingSet::helix_pairings(), and protocols::fldsgn::topology::HelixPairingSet::name().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const HSSTripletSet & | s | ||
| ) |
IO Operator.
Definition at line 289 of file HSSTriplet.cc.
References protocols::fldsgn::topology::HSSTripletSet::hss_triplets().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const SheetSet & | s | ||
| ) |
return strand pairing
Definition at line 321 of file Sheet.cc.
References protocols::fldsgn::topology::SheetSet::num_sheets(), and protocols::fldsgn::topology::SheetSet::sheet().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const SS_Info2 & | ssinfo | ||
| ) |
Definition at line 393 of file SS_Info2.cc.
References protocols::fldsgn::topology::SS_Info2::helices_, and protocols::fldsgn::topology::SS_Info2::strands_.
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const StrandPairingSet & | s | ||
| ) |
output detail of strand pairing set
return strand pairing
Definition at line 501 of file StrandPairing.cc.
References protocols::fldsgn::topology::StrandPairingSet::name(), and protocols::fldsgn::topology::StrandPairingSet::strand_pairings().
| std::ostream& protocols::fldsgn::topology::operator<< | ( | std::ostream & | out, |
| const BetaAlphaBetaMotifSet & | s | ||
| ) |
Definition at line 548 of file BetaAlphaBetaMotif.cc.
References protocols::fldsgn::topology::BetaAlphaBetaMotifSet::bab_motifs().
| bool protocols::fldsgn::topology::pointer_sorter | ( | DimerPairingCOP const | a, |
| DimerPairingCOP const | b | ||
| ) |
Definition at line 101 of file DimerPairing.cc.
Referenced by protocols::fldsgn::topology::DimerPairings::finalize(), and protocols::fldsgn::topology::StrandPairingSet::finalize().
| bool protocols::fldsgn::topology::pointer_sorter | ( | StrandPairingCOP const | a, |
| StrandPairingCOP const | b | ||
| ) |
Definition at line 624 of file StrandPairing.cc.
| bool protocols::fldsgn::topology::sort_by_length | ( | protocols::fldsgn::topology::StrandPairingCOP const | a, |
| protocols::fldsgn::topology::StrandPairingCOP const | b | ||
| ) |
Definition at line 688 of file StrandPairing.cc.
Referenced by protocols::fldsgn::topology::StrandPairingSet::make_strand_neighbor_two().
1.8.4