Rosetta
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Namespaces | |
nonlocal | |
quota | |
scores | |
Classes | |
class | BestTotalScoreSelector |
selects a given number of fragments using a quota scheme More... | |
class | BoundedPriorityQueue |
class | BoundedCollector |
Keeps the N best fragments candidates for the final selection. More... | |
class | BoundedCollector_CompareTotalScore |
class | CandidatesCollector |
A base class for collecting fragments. More... | |
class | CompareQueryPosition |
comparator based on a sequence position in a query More... | |
class | CompareTotalScore |
comparator based on the total score of fragments More... | |
class | CompareByScoreCombination |
comparator based on the linear combination of some score components More... | |
class | CompareScoreComponent |
comparator based on one of the score components calculated for fragments More... | |
class | CompositeFragmentSelector |
selects fragments by running several selectors More... | |
class | Contact |
class | ContactCounts |
class | CS2ndShift |
class | CSTalosIO |
class | CustomScoreSelector |
selects a given number of fragments using a quota scheme More... | |
class | DiversifyCrmsdByClustering |
selects fragments by running several selectors More... | |
class | DiversifyCrmsdSelector |
selects fragments by running several selectors More... | |
class | DiversifyDihedralsSelector |
selects fragments by running several selectors More... | |
class | FragmentCandidate |
Vector candidate says which X-mer from vall fits to a query sequence. More... | |
class | FragmentComparatorBase |
class | QuotaDebug |
class | FragmentPicker |
The core of the fragment picking machinery. More... | |
class | FragmentScoreFilter |
–brief– More... | |
class | FragmentScoreFilterCreator |
class | FragmentSelectingRule |
selects a given number of fragments just by selecting the best ones More... | |
class | GrabAllCollector |
Keeps all fragments candidates for the final selection. More... | |
class | JCouplingIO |
class | LAMBEGO_IO |
class | LazySortedVector1 |
class | PdbIdChunkFilter |
class | AllowPdbIdFilter |
Accepts a chunk based on the pdb id of the source protein. More... | |
class | DenyPdbIdFilter |
Denies a chunk based on the pdb id of the source protein. More... | |
class | PhiPsiTalosIO |
class | SidechainContactDistCutoff |
defines sidechain contact distance cutoffs. More... | |
class | TorsionBinIO |
class | VallChunk |
represents a chunk of residues extracted from a vall. More... | |
class | VallChunkFilter |
a base class for a chunk filtering mechanism More... | |
class | VallProvider |
a vector of vall chunks More... | |
class | VallResidue |
class for managing a line of the Vall fragment library More... | |
Typedefs | |
typedef utility::pointer::shared_ptr< BestTotalScoreSelector > | BestTotalScoreSelectorOP |
typedef utility::pointer::shared_ptr< BestTotalScoreSelector const > | BestTotalScoreSelectorCOP |
typedef utility::pointer::shared_ptr< CandidatesCollector > | CandidatesCollectorOP |
typedef utility::pointer::shared_ptr< CandidatesCollector const > | CandidatesCollectorCOP |
typedef utility::pointer::shared_ptr< CompareQueryPosition > | CompareQueryPositionOP |
typedef utility::pointer::shared_ptr< CompareQueryPosition const > | CompareQueryPositionCOP |
typedef utility::pointer::shared_ptr< CompareTotalScore > | CompareTotalScoreOP |
typedef utility::pointer::shared_ptr< CompareTotalScore const > | CompareTotalScoreCOP |
typedef utility::pointer::shared_ptr< CompareScoreComponent > | CompareScoreComponentOP |
typedef utility::pointer::shared_ptr< CompareScoreComponent const > | CompareScoreComponentCOP |
typedef utility::pointer::shared_ptr< Contact > | ContactOP |
typedef utility::pointer::shared_ptr< Contact const > | ContactCOP |
typedef utility::pointer::shared_ptr< ContactCounts > | ContactCountsOP |
typedef utility::pointer::shared_ptr< ContactCounts const > | ContactCountsCOP |
typedef utility::vector1< std::pair< ScoredCandidate, core::Real > > | ExtraScoreVector |
typedef utility::pointer::shared_ptr< CustomScoreSelector > | CustomScoreSelectorOP |
typedef utility::pointer::shared_ptr< CustomScoreSelector const > | CustomScoreSelectorCOP |
typedef utility::pointer::shared_ptr< FragmentCandidate > | FragmentCandidateOP |
typedef utility::pointer::shared_ptr< FragmentCandidate const > | FragmentCandidateCOP |
typedef std::pair< FragmentCandidateOP, scores::FragmentScoreMapOP > | ScoredCandidate |
typedef utility::vector1< ScoredCandidate > | ScoredCandidatesVector1 |
typedef utility::pointer::shared_ptr< FragmentComparatorBase > | FragmentComparatorBaseOP |
typedef utility::pointer::shared_ptr< FragmentComparatorBase const > | FragmentComparatorBaseCOP |
typedef utility::pointer::shared_ptr< FragmentPicker > | FragmentPickerOP |
typedef utility::pointer::shared_ptr< FragmentPicker const > | FragmentPickerCOP |
typedef utility::pointer::weak_ptr< FragmentPicker > | FragmentPickerAP |
typedef utility::pointer::weak_ptr< FragmentPicker const > | FragmentPickerCAP |
typedef std::pair< core::Size, core::Size > | PosPair |
typedef std::pair< FragmentCandidateOP, scores::FragmentScoreMapOP > | Candidate |
typedef utility::vector1< Candidate > | Candidates |
typedef std::map< core::Size, CandidatesCollectorOP > | CandidatesSink |
typedef utility::pointer::shared_ptr< FragmentScoreFilter > | FragmentScoreFilterOP |
typedef utility::pointer::shared_ptr< FragmentScoreFilter const > | FragmentScoreFilterCOP |
typedef utility::pointer::shared_ptr< FragmentSelectingRule > | FragmentSelectingRuleOP |
typedef utility::pointer::shared_ptr< FragmentSelectingRule const > | FragmentSelectingRuleCOP |
typedef utility::pointer::shared_ptr< GrabAllCollector > | GrabAllCollectorOP |
typedef utility::pointer::shared_ptr< GrabAllCollector const > | GrabAllCollectorCOP |
typedef utility::pointer::shared_ptr< PdbIdChunkFilter > | PdbIdChunkFilterOP |
typedef utility::pointer::shared_ptr< PdbIdChunkFilter const > | PdbIdChunkFilterCOP |
typedef utility::pointer::shared_ptr< AllowPdbIdFilter > | AllowPdbIdFilterOP |
typedef utility::pointer::shared_ptr< AllowPdbIdFilter const > | AllowPdbIdFilterCOP |
typedef utility::pointer::shared_ptr< DenyPdbIdFilter > | DenyPdbIdFilterOP |
typedef utility::pointer::shared_ptr< DenyPdbIdFilter const > | DenyPdbIdFilterCOP |
typedef utility::pointer::shared_ptr< SidechainContactDistCutoff > | SidechainContactDistCutoffOP |
typedef utility::pointer::shared_ptr< SidechainContactDistCutoff const > | SidechainContactDistCutoffCOP |
typedef utility::pointer::shared_ptr< VallChunk > | VallChunkOP |
typedef utility::pointer::shared_ptr< VallChunk const > | VallChunkCOP |
typedef utility::pointer::weak_ptr< VallChunk > | VallChunkAP |
typedef utility::pointer::weak_ptr< VallChunk const > | VallChunkCAP |
typedef utility::pointer::shared_ptr< VallChunkFilter > | VallChunkFilterOP |
typedef utility::pointer::shared_ptr< VallChunkFilter const > | VallChunkFilterCOP |
typedef utility::pointer::shared_ptr< VallProvider > | VallProviderOP |
typedef utility::pointer::shared_ptr< VallProvider const > | VallProviderCOP |
typedef utility::pointer::weak_ptr< VallProvider > | VallProviderAP |
typedef utility::pointer::weak_ptr< VallProvider const > | VallProviderCAP |
typedef utility::pointer::shared_ptr< VallResidue > | VallResidueOP |
typedef utility::pointer::shared_ptr< VallResidue const > | VallResidueCOP |
Enumerations | |
enum | ContactType { CA =1 , CB , CEN , UNK , num_contact_types = UNK } |
Functions | |
static basic::Tracer | trBestTotalScoreSelector ("protocols.frag_picker.BestTotalScoreSelector") |
std::map< std::string, ContactType > | setup_name2type () |
BEGIN: local functions. More... | |
std::map< std::string, ContactType > & | name2type () |
map that converts string name to enum More... | |
utility::vector1< std::string > | setup_type2name () |
setup the vector that maps enum to string name More... | |
utility::vector1< std::string > & | type2name () |
vector that maps enum to string name More... | |
ContactType | contact_type (std::string const &name) |
END: local functions. More... | |
std::string | contact_name (ContactType type) |
give an enum type and return the string name More... | |
static basic::Tracer | tr ("protocols.frag_picker.SecondaryShiftCalculator") |
static basic::Tracer | tr ("protocols.frag_picker.TalosReader") |
static basic::Tracer | trCustomScoreSelector ("protocols.frag_picker.CustomScoreSelector") |
bool | sort_function (ExtraScoreVector::value_type p1, ExtraScoreVector::value_type p2) |
static basic::Tracer | trDiversifyCrmsdByClustering ("protocols.frag_picker.DiversifyCrmsdByClustering") |
static basic::Tracer | trDiversifyCrmsdSelector ("protocols.frag_picker.DiversifyCrmsdSelector") |
static basic::Tracer | trDiversifyDihedralsSelector ("protocols.frag_picker.DiversifyDihedralsSelector") |
std::map< char, core::Real > | setup_faraggi_map () |
setup the faraggi SA max map, see Faraggi et al. Proteins 2008 More... | |
std::map< char, core::Real > & | sa_faraggi_max () |
faraggi SA max map More... | |
core::Real | sa_faraggi_max (char aa) |
static basic::Tracer | trFragmentCandidate ("protocols.frag_picker.FragmentCandidate") |
utility::vector1< FragmentCandidateOP > | read_fragment_candidates (std::string file_name, VallProviderOP chunk_owner, core::Size max_nfrags_per_pos) |
std::ostream & | operator<< (std::ostream &out, FragmentCandidate const &fr) |
std::ostream & | operator<< (std::ostream &out, std::pair< FragmentCandidateOP, scores::FragmentScoreMapOP > const &pair) |
static basic::Tracer | tr ("protocols.frag_picker.FragmentPicker") |
void | convert_binary_checkpoint (std::string const &check_filename) |
void | run_command (std::string const &cmd) |
Run a command in a terminal. More... | |
static basic::Tracer | trJCouplingIO ("protocols.frag_picker.TalosReader") |
static basic::Tracer | tracer ("protocols.frag_picker.LAMBEGO_IO") |
static basic::Tracer | trPdbFilter ("protocols.frag_picker.PdbIdChunkFilter") |
static basic::Tracer | tr ("protocols.frag_picker.PhiPsiTalosIO") |
static basic::Tracer | TR ("protocols.frag_picker.SidechainContactDistCutoff") |
static basic::Tracer | tracer ("protocols.frag_picker.TorsionBinIO") |
static basic::Tracer | TR ("protocols.frag_picker.VallResidue") |
typedef utility::pointer::shared_ptr<AllowPdbIdFilter const> protocols::frag_picker::AllowPdbIdFilterCOP |
typedef utility::pointer::shared_ptr<AllowPdbIdFilter> protocols::frag_picker::AllowPdbIdFilterOP |
typedef utility::pointer::shared_ptr<BestTotalScoreSelector const> protocols::frag_picker::BestTotalScoreSelectorCOP |
typedef utility::pointer::shared_ptr<BestTotalScoreSelector> protocols::frag_picker::BestTotalScoreSelectorOP |
typedef std::pair<FragmentCandidateOP, scores::FragmentScoreMapOP> protocols::frag_picker::Candidate |
typedef utility::vector1<Candidate> protocols::frag_picker::Candidates |
typedef utility::pointer::shared_ptr<CandidatesCollector const> protocols::frag_picker::CandidatesCollectorCOP |
typedef utility::pointer::shared_ptr<CandidatesCollector> protocols::frag_picker::CandidatesCollectorOP |
typedef std::map<core::Size, CandidatesCollectorOP> protocols::frag_picker::CandidatesSink |
typedef utility::pointer::shared_ptr<CompareQueryPosition const> protocols::frag_picker::CompareQueryPositionCOP |
typedef utility::pointer::shared_ptr<CompareQueryPosition> protocols::frag_picker::CompareQueryPositionOP |
typedef utility::pointer::shared_ptr<CompareScoreComponent const> protocols::frag_picker::CompareScoreComponentCOP |
typedef utility::pointer::shared_ptr<CompareScoreComponent> protocols::frag_picker::CompareScoreComponentOP |
typedef utility::pointer::shared_ptr<CompareTotalScore const> protocols::frag_picker::CompareTotalScoreCOP |
typedef utility::pointer::shared_ptr<CompareTotalScore> protocols::frag_picker::CompareTotalScoreOP |
typedef utility::pointer::shared_ptr<Contact const> protocols::frag_picker::ContactCOP |
typedef utility::pointer::shared_ptr<ContactCounts const> protocols::frag_picker::ContactCountsCOP |
typedef utility::pointer::shared_ptr<ContactCounts> protocols::frag_picker::ContactCountsOP |
typedef utility::pointer::shared_ptr<Contact> protocols::frag_picker::ContactOP |
typedef utility::pointer::shared_ptr<CustomScoreSelector const> protocols::frag_picker::CustomScoreSelectorCOP |
typedef utility::pointer::shared_ptr<CustomScoreSelector> protocols::frag_picker::CustomScoreSelectorOP |
typedef utility::pointer::shared_ptr<DenyPdbIdFilter const> protocols::frag_picker::DenyPdbIdFilterCOP |
typedef utility::pointer::shared_ptr<DenyPdbIdFilter> protocols::frag_picker::DenyPdbIdFilterOP |
typedef utility::vector1<std::pair< ScoredCandidate, core::Real> > protocols::frag_picker::ExtraScoreVector |
typedef utility::pointer::shared_ptr<FragmentCandidate const> protocols::frag_picker::FragmentCandidateCOP |
typedef utility::pointer::shared_ptr<FragmentCandidate> protocols::frag_picker::FragmentCandidateOP |
typedef utility::pointer::shared_ptr<FragmentComparatorBase const> protocols::frag_picker::FragmentComparatorBaseCOP |
typedef utility::pointer::shared_ptr<FragmentComparatorBase> protocols::frag_picker::FragmentComparatorBaseOP |
typedef utility::pointer::weak_ptr<FragmentPicker> protocols::frag_picker::FragmentPickerAP |
typedef utility::pointer::weak_ptr<FragmentPicker const> protocols::frag_picker::FragmentPickerCAP |
typedef utility::pointer::shared_ptr<FragmentPicker const> protocols::frag_picker::FragmentPickerCOP |
typedef utility::pointer::shared_ptr<FragmentPicker> protocols::frag_picker::FragmentPickerOP |
typedef utility::pointer::shared_ptr< FragmentScoreFilter const > protocols::frag_picker::FragmentScoreFilterCOP |
typedef utility::pointer::shared_ptr< FragmentScoreFilter > protocols::frag_picker::FragmentScoreFilterOP |
typedef utility::pointer::shared_ptr<FragmentSelectingRule const> protocols::frag_picker::FragmentSelectingRuleCOP |
typedef utility::pointer::shared_ptr<FragmentSelectingRule> protocols::frag_picker::FragmentSelectingRuleOP |
typedef utility::pointer::shared_ptr< GrabAllCollector const > protocols::frag_picker::GrabAllCollectorCOP |
typedef utility::pointer::shared_ptr< GrabAllCollector > protocols::frag_picker::GrabAllCollectorOP |
typedef utility::pointer::shared_ptr<PdbIdChunkFilter const> protocols::frag_picker::PdbIdChunkFilterCOP |
typedef utility::pointer::shared_ptr<PdbIdChunkFilter> protocols::frag_picker::PdbIdChunkFilterOP |
typedef std::pair<core::Size,core::Size> protocols::frag_picker::PosPair |
typedef std::pair<FragmentCandidateOP, scores::FragmentScoreMapOP> protocols::frag_picker::ScoredCandidate |
typedef utility::vector1<ScoredCandidate> protocols::frag_picker::ScoredCandidatesVector1 |
typedef utility::pointer::shared_ptr<SidechainContactDistCutoff const> protocols::frag_picker::SidechainContactDistCutoffCOP |
typedef utility::pointer::shared_ptr<SidechainContactDistCutoff> protocols::frag_picker::SidechainContactDistCutoffOP |
typedef utility::pointer::weak_ptr<VallChunk> protocols::frag_picker::VallChunkAP |
typedef utility::pointer::weak_ptr<VallChunk const> protocols::frag_picker::VallChunkCAP |
typedef utility::pointer::shared_ptr<VallChunk const> protocols::frag_picker::VallChunkCOP |
typedef utility::pointer::shared_ptr<VallChunkFilter const> protocols::frag_picker::VallChunkFilterCOP |
typedef utility::pointer::shared_ptr<VallChunkFilter> protocols::frag_picker::VallChunkFilterOP |
typedef utility::pointer::shared_ptr<VallChunk> protocols::frag_picker::VallChunkOP |
typedef utility::pointer::weak_ptr<VallProvider> protocols::frag_picker::VallProviderAP |
typedef utility::pointer::weak_ptr<VallProvider const> protocols::frag_picker::VallProviderCAP |
typedef utility::pointer::shared_ptr<VallProvider const> protocols::frag_picker::VallProviderCOP |
typedef utility::pointer::shared_ptr<VallProvider> protocols::frag_picker::VallProviderOP |
typedef utility::pointer::shared_ptr<VallResidue const> protocols::frag_picker::VallResidueCOP |
typedef utility::pointer::shared_ptr<VallResidue> protocols::frag_picker::VallResidueOP |
std::string protocols::frag_picker::contact_name | ( | ContactType | type | ) |
give an enum type and return the string name
References num_contact_types, and type2name().
Referenced by protocols::frag_picker::FragmentPicker::fragment_contacts(), protocols::frag_picker::FragmentPicker::nonlocal_pairs(), protocols::frag_picker::FragmentPicker::output_pair_counts(), protocols::frag_picker::nonlocal::NonlocalPair::print(), and protocols::frag_picker::Contact::type_name().
ContactType protocols::frag_picker::contact_type | ( | std::string const & | name | ) |
END: local functions.
give a string name and return its enum type
References core::sequence::end, and name2type().
Referenced by protocols::frag_picker::FragmentPicker::output_pair_counts(), and protocols::frag_picker::FragmentPicker::parse_command_line().
void protocols::frag_picker::convert_binary_checkpoint | ( | std::string const & | check_filename | ) |
References core::conformation::membrane::in, core::id::to_string(), and TR().
Referenced by protocols::frag_picker::FragmentScoreFilter::setup_fragment_picker().
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map that converts string name to enum
References setup_name2type().
Referenced by contact_type(), and setup_type2name().
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References core::conformation::membrane::out, and core::scoring::pair.
utility::vector1< FragmentCandidateOP > protocols::frag_picker::read_fragment_candidates | ( | std::string | file_name, |
VallProviderOP | chunk_owner, | ||
core::Size | max_nfrags_per_pos | ||
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References trFragmentCandidate().
void protocols::frag_picker::run_command | ( | std::string const & | cmd | ) |
Run a command in a terminal.
References core::id::to_string(), and TR().
Referenced by protocols::frag_picker::FragmentScoreFilter::setup_fragment_picker().
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core::Real protocols::frag_picker::sa_faraggi_max | ( | char | aa | ) |
References protocols::cluster::calibur::aa, core::sequence::end, and sa_faraggi_max().
std::map< char, core::Real > protocols::frag_picker::setup_faraggi_map | ( | ) |
setup the faraggi SA max map, see Faraggi et al. Proteins 2008
Referenced by sa_faraggi_max().
std::map< std::string, ContactType > protocols::frag_picker::setup_name2type | ( | ) |
BEGIN: local functions.
setup the map that converts string name to enum
References CA, CB, CEN, and UNK.
Referenced by name2type().
utility::vector1< std::string > protocols::frag_picker::setup_type2name | ( | ) |
setup the vector that maps enum to string name
References core::sequence::end, name2type(), and num_contact_types.
Referenced by type2name().
bool protocols::frag_picker::sort_function | ( | ExtraScoreVector::value_type | p1, |
ExtraScoreVector::value_type | p2 | ||
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Referenced by protocols::frag_picker::FragmentPicker::bounded_protocol(), protocols::frag_picker::CS2ndShift::CS2ndShift(), protocols::frag_picker::FragmentPicker::is_valid_chunk(), protocols::frag_picker::FragmentPicker::keep_all_protocol(), protocols::frag_picker::FragmentPicker::nonlocal_pairs(), protocols::frag_picker::FragmentPicker::output_fragments(), protocols::frag_picker::FragmentPicker::parse_command_line(), protocols::frag_picker::FragmentPicker::pick_candidates(), protocols::frag_picker::FragmentPicker::quota_protocol(), protocols::frag_picker::CSTalosIO::read(), protocols::frag_picker::PhiPsiTalosIO::read(), protocols::frag_picker::CS2ndShift::read_adjust_table(), protocols::frag_picker::FragmentPicker::read_ss_files(), protocols::frag_picker::CS2ndShift::read_sslimit_table(), protocols::frag_picker::FragmentPicker::save_candidates(), protocols::frag_picker::FragmentPicker::save_fragments(), protocols::frag_picker::FragmentPicker::set_max_threads(), protocols::frag_picker::FragmentPicker::set_query_seq(), protocols::frag_picker::FragmentPicker::set_up_quota_nnmake_style(), protocols::frag_picker::FragmentPicker::set_up_ss_abego_quota(), and protocols::frag_picker::QuotaDebug::write_summary().
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Referenced by protocols::frag_picker::FragmentScoreFilter::apply(), protocols::frag_picker::VallProvider::cache_pose(), protocols::frag_picker::VallProvider::cache_profile(), protocols::frag_picker::FragmentScoreFilter::compute(), convert_binary_checkpoint(), protocols::frag_picker::VallProvider::find_chunk(), protocols::frag_picker::VallResidue::format_string(), protocols::frag_picker::VallResidue::format_string_cs(), protocols::frag_picker::VallResidue::format_string_residue_depth_version1(), protocols::frag_picker::VallResidue::format_string_version1(), protocols::frag_picker::SidechainContactDistCutoff::initialize(), protocols::frag_picker::FragmentScoreFilter::rescore_fragment_crmsd(), run_command(), protocols::frag_picker::FragmentScoreFilter::setup_fragment_picker(), and protocols::frag_picker::VallProvider::vallChunksFromLibrary().
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Referenced by protocols::evaluation::dump_matrix_no(), protocols::toolbox::dump_matrix_no(), protocols::frag_picker::LAMBEGO_IO::read(), protocols::frag_picker::TorsionBinIO::read(), protocols::analysis::InterfaceAnalyzerMover::set_use_tracer(), protocols::loops::filters::LoopAnalyzerFilter::set_use_tracer(), protocols::analysis::LoopAnalyzerMover::set_use_tracer(), core::scoring::nmr::NMRSpinlabel::show(), core::scoring::nmr::pcs::PCSData::show(), core::scoring::nmr::pcs::PCSMultiSet::show(), core::scoring::nmr::pcs::PCSSingle::show(), core::scoring::nmr::pcs::PCSSingleSet::show(), core::scoring::nmr::pre::PREData::show(), core::scoring::nmr::pre::PREMultiSet::show(), core::scoring::nmr::pre::PRESingle::show(), core::scoring::nmr::pre::PRESingleSet::show(), core::scoring::nmr::rdc::RDCData::show(), core::scoring::nmr::rdc::RDCMultiSet::show(), core::scoring::nmr::rdc::RDCSingle::show(), core::scoring::nmr::rdc::RDCSingleSet::show(), protocols::nmr::pre::PREMover::show(), protocols::nmr::pcs::PCSEnergy::show_additional_info(), protocols::nmr::pre::PREEnergy::show_additional_info(), protocols::nmr::rdc::RDCEnergy::show_additional_info(), core::scoring::nmr::pcs::PCSTensor::show_tensor_stats(), core::scoring::nmr::rdc::RDCTensor::show_tensor_stats(), which_ostream(), and protocols::analysis::which_ostream().
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Referenced by read_fragment_candidates().
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Referenced by protocols::frag_picker::JCouplingIO::read().
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