Rosetta
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Namespaces | |
filters | |
movers | |
search | |
Classes | |
class | BinaryFragmentStoreBackend |
struct | StructureEntry |
struct | ResidueBackboneEntry |
struct | ResidueSidechainEntry |
struct | ResidueOrientEntry |
struct | ResidueEntry |
struct | DirectSegmentLookupConfig |
struct | DirectSegmentLookupResult |
struct | DirectSegmentLookup |
class | DirStructureStoreBackend |
class | FragmentLookupResult |
class | FragmentLookup |
struct | FragmentSpecification |
class | FragmentStore |
struct | _map_string_vector_Size |
struct | _map_string_vector_Real |
struct | _map_string_vector_vector_Real |
class | FragmentStoreManager |
class | FragmentStoreProvider |
struct | StructureRecord |
class | JSONStructureStoreBackend |
class | PoseUtilityPlaceholder |
struct | SegmentSequenceProfileConfig |
struct | SegmentSequenceProfileResult |
struct | SegmentSequenceProfile |
class | SilentStructureStoreBackend |
struct | BackboneStub |
class | BackboneStubVectorRMSDComparator |
class | SSHashedFragmentStore |
class | StructureStore |
class | StructureStoreManager |
class | StructureStoreProvider |
Typedefs | |
typedef utility::pointer::shared_ptr< FragmentLookup > | FragmentLookupOP |
typedef utility::pointer::shared_ptr< FragmentLookup const > | FragmentLookupCOP |
typedef utility::pointer::weak_ptr< FragmentLookup > | FragmentLookupAP |
typedef utility::pointer::weak_ptr< FragmentLookup const > | FragmentLookupCAP |
typedef utility::pointer::shared_ptr< FragmentStore > | FragmentStoreOP |
typedef utility::pointer::shared_ptr< FragmentStore const > | FragmentStoreCOP |
typedef utility::pointer::shared_ptr< FragmentStoreProvider > | FragmentStoreProviderOP |
typedef utility::pointer::shared_ptr< FragmentStoreProvider const > | FragmentStoreProviderCOP |
typedef utility::pointer::shared_ptr< SSHashedFragmentStore > | SSHashedFragmentStoreOP |
typedef utility::pointer::shared_ptr< SSHashedFragmentStore const > | SSHashedFragmentStoreCOP |
typedef utility::pointer::shared_ptr< StructureStore > | StructureStoreOP |
typedef utility::pointer::shared_ptr< StructureStore const > | StructureStoreCOP |
typedef utility::pointer::weak_ptr< StructureStore > | StructureStoreAP |
typedef utility::pointer::shared_ptr< StructureStoreProvider > | StructureStoreProviderOP |
typedef utility::pointer::shared_ptr< StructureStoreProvider const > | StructureStoreProviderCOP |
Enumerations | |
enum | OverlapDeleteMode { DELETE_UPSTREAM , DELETE_DOWNSTREAM } |
Functions | |
static basic::Tracer | TR ("core.indexed_structure_store.BinaryFragmentStoreBackend") |
void | to_json (nlohmann::json &j, const ResidueBackboneEntry &i) |
void | from_json (const nlohmann::json &j, ResidueBackboneEntry &i) |
void | to_json (nlohmann::json &j, const ResidueSidechainEntry &i) |
void | from_json (const nlohmann::json &j, ResidueSidechainEntry &i) |
void | to_json (nlohmann::json &j, const ResidueOrientEntry &i) |
void | from_json (const nlohmann::json &j, ResidueOrientEntry &i) |
void | to_json (nlohmann::json &j, const ResidueEntry &i) |
void | from_json (const nlohmann::json &j, ResidueEntry &i) |
void | to_json (nlohmann::json &j, const StructureEntry &i) |
void | from_json (const nlohmann::json &j, StructureEntry &i) |
ndarray::Array< ResidueEntry, 1, 1 > | _pose_res (core::pose::Pose &pose, core::Size start_res, core::Size end_res) |
void | to_json (nlohmann::json &j, const DirectSegmentLookupConfig &c) |
void | from_json (const nlohmann::json &j, DirectSegmentLookupConfig &c) |
static basic::Tracer | TR ("core.indexed_structure_store.DirStructureStoreBackend") |
std::ostream & | operator<< (std::ostream &os, const FragmentSpecification &s) |
static basic::Tracer | TR ("core.indexed_structure_store.FragmentStoreManager") |
static basic::Tracer | TR ("core.indexed_structure_store.JSONStructureStoreBackend") |
void | to_json (json &j, const StructureRecord &i) |
void | from_json (const json &j, StructureRecord &i) |
ndarray::ArrayRef< float, 4, 1 > | orient_array (ndarray::Array< ResidueEntry, 2 > res) |
ndarray::ArrayRef< float, 3, 1 > | orient_array (ndarray::Array< ResidueEntry, 1 > res) |
ndarray::ArrayRef< float, 2, 1 > | orient_array (ResidueEntry &src) |
ResidueEntry | extract_residue_entry (core::conformation::Residue const &res) |
ndarray::Array< ResidueEntry, 1 > | extract_residue_entries (core::pose::Pose const &pose, bool ignore_non_protein) |
void | apply_residue_entries_to_pose (ndarray::Array< ResidueEntry, 1 > residue_entries, core::pose::Pose &pose, core::Size start_residue, bool apply_bb, bool apply_sidechain, bool apply_orient) |
core::pose::PoseOP | residue_entries_to_pose (ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 > residue_entries, std::string residue_type, bool auto_termini) |
template<typename Range > | |
std::string | to_str (Range range) |
template<typename Range , typename Op > | |
std::vector< size_t > | index_if (Range const &r, Op &pred) |
core::pose::PoseOP | initial_pose_for_residues (ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 > residue_entries, std::string residue_type, bool auto_termini) |
core::pose::PoseOP | residue_entries_to_pose (ndarray::Array< ResidueEntry, 1 > residue_entries, std::string residue_type="fa_standard", bool auto_termini=true) |
template<typename ResidueRange > | |
core::pose::PoseOP | residue_entries_to_pose (ResidueRange residue_entries, std::string residue_type="fa_standard", bool auto_termini=true) |
core::pose::PoseOP | initial_pose_for_residues (ndarray::Array< ResidueEntry, 1 > residue_entries, std::string residue_type="fa_standard", bool auto_termini=true) |
core::pose::PoseOP | pose_from_store (StructureStore &store, uint32_t structure_id) |
template<typename Module > | |
void | bind_pose_utility (Module &m) |
void | to_json (nlohmann::json &j, const SegmentSequenceProfileConfig &c) |
void | from_json (const nlohmann::json &j, SegmentSequenceProfileConfig &c) |
static basic::Tracer | TR ("core.indexed_structure_store.SilentStructureStoreBackend") |
template<typename Module > | |
void | bind_StructureStore (Module &m) |
static basic::Tracer | TR ("core.indexed_structure_store.StructureStoreManager") |
core::pose::PoseOP | append_pose_by_bond (core::pose::Pose &upstream_pose, core::pose::Pose &downstream_pose) |
core::pose::PoseOP | append_pose_with_overlap (core::pose::Pose &upstream_pose, core::pose::Pose &downstream_pose, core::Size overlap, OverlapDeleteMode delete_overlap) |
typedef utility::pointer::weak_ptr<FragmentLookup> protocols::indexed_structure_store::FragmentLookupAP |
typedef utility::pointer::weak_ptr<FragmentLookup const> protocols::indexed_structure_store::FragmentLookupCAP |
typedef utility::pointer::shared_ptr<FragmentLookup const> protocols::indexed_structure_store::FragmentLookupCOP |
typedef utility::pointer::shared_ptr<FragmentLookup> protocols::indexed_structure_store::FragmentLookupOP |
typedef utility::pointer::shared_ptr<FragmentStore const> protocols::indexed_structure_store::FragmentStoreCOP |
typedef utility::pointer::shared_ptr<FragmentStore> protocols::indexed_structure_store::FragmentStoreOP |
typedef utility::pointer::shared_ptr<FragmentStoreProvider const> protocols::indexed_structure_store::FragmentStoreProviderCOP |
typedef utility::pointer::shared_ptr<FragmentStoreProvider> protocols::indexed_structure_store::FragmentStoreProviderOP |
typedef utility::pointer::shared_ptr<SSHashedFragmentStore const> protocols::indexed_structure_store::SSHashedFragmentStoreCOP |
typedef utility::pointer::shared_ptr<SSHashedFragmentStore> protocols::indexed_structure_store::SSHashedFragmentStoreOP |
typedef utility::pointer::weak_ptr<StructureStore> protocols::indexed_structure_store::StructureStoreAP |
typedef utility::pointer::shared_ptr<StructureStore const> protocols::indexed_structure_store::StructureStoreCOP |
typedef utility::pointer::shared_ptr<StructureStore> protocols::indexed_structure_store::StructureStoreOP |
typedef utility::pointer::shared_ptr<StructureStoreProvider const> protocols::indexed_structure_store::StructureStoreProviderCOP |
typedef utility::pointer::shared_ptr<StructureStoreProvider> protocols::indexed_structure_store::StructureStoreProviderOP |
ndarray::Array<ResidueEntry, 1, 1> protocols::indexed_structure_store::_pose_res | ( | core::pose::Pose & | pose, |
core::Size | start_res, | ||
core::Size | end_res | ||
) |
core::pose::PoseOP protocols::indexed_structure_store::append_pose_by_bond | ( | core::pose::Pose & | upstream_pose, |
core::pose::Pose & | downstream_pose | ||
) |
References append_pose_with_overlap(), and DELETE_UPSTREAM.
core::pose::PoseOP protocols::indexed_structure_store::append_pose_with_overlap | ( | core::pose::Pose & | upstream_pose, |
core::pose::Pose & | downstream_pose, | ||
core::Size | overlap, | ||
OverlapDeleteMode | delete_overlap | ||
) |
References core::chemical::CUTPOINT_LOWER, core::chemical::CUTPOINT_UPPER, core::kinematics::FoldTree::delete_jump_and_intervening_cutpoint(), DELETE_UPSTREAM, core::chemical::LOWER_TERMINUS_VARIANT, core::pose::Pose::num_jump(), core::scoring::packstat::overlap(), core::pose::remove_variant_type_from_pose_residue(), core::pose::Pose::size(), and core::chemical::UPPER_TERMINUS_VARIANT.
Referenced by append_pose_by_bond(), and protocols::indexed_structure_store::movers::DirectSegmentLookupMover::generate_result_pose().
void protocols::indexed_structure_store::apply_residue_entries_to_pose | ( | ndarray::Array< ResidueEntry, 1 > | residue_entries, |
core::pose::Pose & | pose, | ||
core::Size | start_residue, | ||
bool | apply_bb, | ||
bool | apply_sidechain, | ||
bool | apply_orient | ||
) |
References core::chemical::aa_from_oneletter_code(), core::conformation::Residue::all_bb_atoms(), core::conformation::Residue::atom_index(), core::conformation::Conformation::chain_endings(), core::pose::Pose::conformation(), core::conformation::copy_residue_coordinates_and_rebuild_missing_atoms(), core::conformation::ResidueFactory::create_residue(), core::conformation::Conformation::fill_missing_atoms(), core::pose::get_restype_for_pose(), core::chemical::ResidueTypeBase::mode(), core::conformation::Residue::name1(), core::chemical::name_from_aa(), core::conformation::Residue::natoms(), core::conformation::Residue::nchi(), core::conformation::Residue::orient_onto_location(), core::pose::Pose::replace_residue(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::id::AtomID_Map< T >::resize(), core::pose::Pose::set_chi(), core::pose::Pose::set_omega(), core::pose::Pose::set_phi(), core::pose::Pose::set_psi(), core::conformation::Residue::set_xyz(), core::pose::Pose::total_residue(), and core::conformation::Residue::xyz().
Referenced by bind_pose_utility(), and residue_entries_to_pose().
void protocols::indexed_structure_store::bind_pose_utility | ( | Module & | m | ) |
void protocols::indexed_structure_store::bind_StructureStore | ( | Module & | m | ) |
References protocols::cluster::calibur::aa, core::chemical::element::C, protocols::frag_picker::CA, protocols::indexed_structure_store::StructureStore::check_entries(), core::energy_methods::eval(), protocols::indexed_structure_store::StructureStore::get_residues(), protocols::indexed_structure_store::StructureStore::get_structure(), core::chemical::element::N, core::chemical::element::O, core::scoring::omega, protocols::indexed_structure_store::StructureStore::residue_entries, protocols::indexed_structure_store::StructureStore::resize(), and protocols::indexed_structure_store::StructureStore::structure_entries.
ndarray::Array< ResidueEntry, 1 > protocols::indexed_structure_store::extract_residue_entries | ( | core::pose::Pose const & | pose, |
bool | ignore_non_protein | ||
) |
References core::conformation::Conformation::chain_end(), core::chemical::combine(), core::pose::Pose::conformation(), extract_residue_entry(), core::conformation::Residue::is_protein(), core::pose::Pose::residue(), core::pose::Pose::size(), protocols::kinmatch::str(), and protocols::hybridization::t.
Referenced by bind_pose_utility(), protocols::indexed_structure_store::DirStructureStoreBackend::load_store(), and protocols::indexed_structure_store::SilentStructureStoreBackend::load_store().
ResidueEntry protocols::indexed_structure_store::extract_residue_entry | ( | core::conformation::Residue const & | res | ) |
References core::conformation::Residue::chi(), core::conformation::Residue::mainchain_torsion(), core::conformation::Residue::name1(), core::conformation::Residue::nchi(), core::id::omega_torsion(), core::conformation::membrane::out, core::id::phi_torsion(), core::id::psi_torsion(), and core::conformation::Residue::xyz().
Referenced by _pose_res(), bind_pose_utility(), extract_residue_entries(), and protocols::indexed_structure_store::SegmentSequenceProfile::segment_profile().
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References protocols::indexed_structure_store::ResidueEntry::bb, protocols::indexed_structure_store::ResidueEntry::chain_ending, protocols::indexed_structure_store::ResidueEntry::orient, protocols::indexed_structure_store::ResidueEntry::residue_id, protocols::indexed_structure_store::ResidueEntry::sc, and protocols::indexed_structure_store::ResidueEntry::structure_id.
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References protocols::indexed_structure_store::ResidueSidechainEntry::aa, protocols::indexed_structure_store::ResidueSidechainEntry::chi1, protocols::indexed_structure_store::ResidueSidechainEntry::chi2, protocols::indexed_structure_store::ResidueSidechainEntry::chi3, and protocols::indexed_structure_store::ResidueSidechainEntry::chi4.
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std::vector<size_t> protocols::indexed_structure_store::index_if | ( | Range const & | r, |
Op & | pred | ||
) |
References core::scoring::pair.
core::pose::PoseOP protocols::indexed_structure_store::initial_pose_for_residues | ( | ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 > | residue_entries, |
std::string | residue_type, | ||
bool | auto_termini | ||
) |
References core::pose::make_pose_from_sequence(), and protocols::loops::start.
Referenced by bind_pose_utility(), and residue_entries_to_pose().
core::pose::PoseOP protocols::indexed_structure_store::initial_pose_for_residues | ( | ndarray::Array< ResidueEntry, 1 > | residue_entries, |
std::string | residue_type = "fa_standard" , |
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bool | auto_termini = true |
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std::ostream& protocols::indexed_structure_store::operator<< | ( | std::ostream & | os, |
const FragmentSpecification & | s | ||
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core::pose::PoseOP protocols::indexed_structure_store::pose_from_store | ( | StructureStore & | store, |
uint32_t | structure_id | ||
) |
core::pose::PoseOP protocols::indexed_structure_store::residue_entries_to_pose | ( | ndarray::Array< protocols::indexed_structure_store::ResidueEntry, 1 > | residue_entries, |
std::string | residue_type, | ||
bool | auto_termini | ||
) |
core::pose::PoseOP protocols::indexed_structure_store::residue_entries_to_pose | ( | ndarray::Array< ResidueEntry, 1 > | residue_entries, |
std::string | residue_type = "fa_standard" , |
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bool | auto_termini = true |
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core::pose::PoseOP protocols::indexed_structure_store::residue_entries_to_pose | ( | ResidueRange | residue_entries, |
std::string | residue_type = "fa_standard" , |
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bool | auto_termini = true |
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References core::sequence::end, and residue_entries_to_pose().
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References protocols::indexed_structure_store::ResidueEntry::bb, protocols::indexed_structure_store::ResidueEntry::chain_ending, protocols::indexed_structure_store::ResidueEntry::orient, protocols::indexed_structure_store::ResidueEntry::residue_id, protocols::indexed_structure_store::ResidueEntry::sc, and protocols::indexed_structure_store::ResidueEntry::structure_id.
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References protocols::indexed_structure_store::ResidueSidechainEntry::aa, protocols::indexed_structure_store::ResidueSidechainEntry::chi1, protocols::indexed_structure_store::ResidueSidechainEntry::chi2, protocols::indexed_structure_store::ResidueSidechainEntry::chi3, and protocols::indexed_structure_store::ResidueSidechainEntry::chi4.
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std::string protocols::indexed_structure_store::to_str | ( | Range | range | ) |
References core::sequence::end, and protocols::sic_dock::range().
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Referenced by protocols::indexed_structure_store::movers::SegmentSequenceProfileMover::apply(), protocols::indexed_structure_store::StructureStoreManager::delete_structure_store(), protocols::indexed_structure_store::movers::DirectSegmentLookupMover::generate_result_pose(), protocols::indexed_structure_store::BinaryFragmentStoreBackend::get_fragment_store(), protocols::indexed_structure_store::SSHashedFragmentStore::get_valid_resid(), protocols::indexed_structure_store::FragmentStoreManager::load_and_hash_fragmentStore(), protocols::indexed_structure_store::FragmentStoreManager::load_fragment_lookup(), protocols::indexed_structure_store::FragmentStoreManager::load_fragment_store(), protocols::indexed_structure_store::DirStructureStoreBackend::load_store(), protocols::indexed_structure_store::JSONStructureStoreBackend::load_store(), protocols::indexed_structure_store::SilentStructureStoreBackend::load_store(), protocols::indexed_structure_store::StructureStoreManager::load_structure_store(), protocols::indexed_structure_store::DirectSegmentLookup::segment_lookup(), protocols::indexed_structure_store::SegmentSequenceProfile::segment_profile(), protocols::indexed_structure_store::BinaryFragmentStoreBackend::set_target_filename(), protocols::indexed_structure_store::FragmentStoreManager::SSHashedFragmentStore(), protocols::indexed_structure_store::JSONStructureStoreBackend::write_store(), and protocols::indexed_structure_store::StructureStoreManager::write_structure_store().
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