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Namespaces | Classes | Typedefs | Enumerations | Functions | Variables
protocols::legacy_sewing Namespace Reference

Namespaces

 sampling
 
 scoring
 

Classes

class  Assembly
 An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher. More...
 
class  AssemblyFactory
 An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher. More...
 
class  ContinuousAssembly
 An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher. More...
 
class  DisembodiedAssembly
 An Assembly is a collection of SewSegments. Assemblies are created using the geometric "compatibility" data generated by the Hasher. More...
 
struct  segment
 
struct  SewAtom
 
struct  SewResidue
 
struct  SewSegment
 
class  ModelIterator
 
class  ModelConstIterator
 
class  SegmentGraph
 
struct  Model
 
struct  coord_hash
 
struct  coord_equal_to
 
struct  HashValue
 
struct  Basis
 
struct  basis_pair_hash
 
struct  basis_pair_equal_to
 
struct  HashResult
 
class  Hasher
 
class  LegacyAddStartnodeFragments
 
class  LegacyAddStartnodeFragmentsCreator
 
class  LegacyAppendAssemblyMover
 
class  LegacyAppendAssemblyMoverCreator
 
class  LegacyReadNativeRotamersFile
 
class  LegacyReadRepeatNativeRotamersFile
 
class  LegacyAssemblyConstraintsMover
 
class  LegacyAssemblyConstraintsMoverCreator
 
class  LegacyAssemblyMover
 
class  LegacyEnumerateAssemblyMover
 
class  LegacyEnumerateAssemblyMoverCreator
 
class  LegacyGivenPathAssemblyMover
 
class  LegacyGivenPathAssemblyMoverCreator
 
class  LegacyGreedyAssemblyMover
 
class  LegacyGreedyAssemblyMoverCreator
 
class  LegacyMonteCarloAssemblyMover
 
class  LegacyMonteCarloAssemblyMoverCreator
 
class  LegacyReadNativeRotamersFileCreator
 
class  LegacyReadRepeatNativeRotamersFileCreator
 
class  LegacyRepeatAssemblyMover
 
class  LegacyRepeatAssemblyMoverCreator
 
class  ModelNode
 
class  HashEdge
 
class  SewGraph
 

Typedefs

typedef utility::pointer::shared_ptr< AssemblyAssemblyOP
 
typedef utility::pointer::shared_ptr< Assembly const > AssemblyCOP
 
typedef utility::pointer::shared_ptr< ModelModelOP
 
typedef utility::pointer::shared_ptr< Model const > ModelCOP
 
typedef utility::pointer::shared_ptr< SewSegmentSewSegmentOP
 
typedef utility::pointer::shared_ptr< SewSegment const > SewSegmentCOP
 
typedef utility::pointer::shared_ptr< HasherHasherOP
 
typedef utility::pointer::shared_ptr< Hasher const > HasherCOP
 
typedef utility::fixedsizearray1< int, 3 > HashKey
 
typedef boost::unordered_map< HashKey, utility::vector1< HashValue >, coord_hash, coord_equal_toHashMap
 
typedef std::pair< Basis, BasisBasisPair
 
typedef std::pair< core::Size, core::SizeSegmentPair
 
typedef std::map< core::id::AtomID, core::id::AtomIDAtomMap
 
typedef std::map< BasisPair, HashResultScoreResults
 
typedef std::pair< BasisPair, HashResultScoreResult
 
typedef utility::pointer::shared_ptr< LegacyAssemblyConstraintsMoverLegacyAssemblyConstraintsMoverOP
 
typedef utility::pointer::shared_ptr< LegacyAssemblyConstraintsMover const > LegacyAssemblyConstraintsMoverCOP
 
typedef utility::pointer::shared_ptr< LegacyAssemblyMoverLegacyAssemblyMoverOP
 
typedef utility::pointer::shared_ptr< LegacyAssemblyMover const > LegacyAssemblyMoverCOP
 
typedef utility::pointer::shared_ptr< LegacyEnumerateAssemblyMoverLegacyEnumerateAssemblyMoverOP
 
typedef utility::pointer::shared_ptr< LegacyEnumerateAssemblyMover const > LegacyEnumerateAssemblyMoverCOP
 
typedef utility::pointer::shared_ptr< LegacyMonteCarloAssemblyMoverLegacyMonteCarloAssemblyMoverOP
 
typedef utility::pointer::shared_ptr< LegacyMonteCarloAssemblyMover const > LegacyMonteCarloAssemblyMoverCOP
 
typedef utility::pointer::shared_ptr< LegacyNodeConstraintAssemblyMover > LegacyNodeConstraintAssemblyMoverOP
 
typedef utility::pointer::shared_ptr< LegacyNodeConstraintAssemblyMover const > LegacyNodeConstraintAssemblyMoverCOP
 
typedef utility::pointer::shared_ptr< SewGraphSewGraphOP
 
typedef utility::pointer::shared_ptr< SewGraph const > SewGraphCOP
 
typedef std::map< core::Size, utility::vector1< std::pair< bool, core::conformation::ResidueOP > > > NativeRotamersMap
 

Enumerations

enum  move_type { ADD_EDGE = 1 , DELETE_EDGE , SWITCH_EDGE }
 

Functions

static basic::Tracer TR ("protocols.legacy_sewing.Assembly")
 
std::ostream & operator<< (std::ostream &out, Assembly const &assembly)
 
static basic::Tracer TR ("protocols.legacy_sewing.ContinuousAssembly")
 
static basic::Tracer TR ("protocols.legacy_sewing.DisembodiedAssembly")
 
static basic::Tracer TR ("protocols.legacy_sewing.Model")
 
Model create_model_from_pose (core::pose::Pose const &pose, int model_id)
 Use the given segment-ranges to create a Model. Give this model an id that doesn't currently exist in the given map of models. More...
 
Model create_model_from_pose (core::pose::Pose const &pose, utility::vector1< std::pair< core::Size, core::Size > > const &segments, int model_id)
 Use the given segment-ranges to create a Model. Give this model an id that doesn't currently exist in the given map of models. More...
 
std::map< int, Modelresult_to_models (cppdb::result res)
 
std::map< int, Modelresult_to_five_ss_models (cppdb::result res)
 
std::map< int, Modelget_discontinuous_models_from_db ()
 
std::map< int, Modelget_strand_sew_models_from_db ()
 
std::map< int, Modelget_continuous_models_from_db (std::string const &hash_between)
 
std::map< int, Modelget_5_ss_models_from_db (std::string const &hash_between)
 
void remove_models_from_dssp (std::map< int, Model > &models, char dssp1, char dssp2)
 Will only work for smotif models!!! More...
 
void add_num_neighbors (std::map< int, Model > &)
 
void add_linker_segments (std::map< int, Model > &models)
 
std::map< int, Modelget_alpha_beta_models_from_db ()
 
void create_alpha_beta_models_table ()
 
void write_model_file (std::string const &comments, std::map< int, Model > models, std::string filename)
 
std::map< int, Modelread_model_file (std::string filename)
 
static basic::Tracer TR ("protocols.legacy_sewing.Hasher")
 
static basic::Tracer TR ("protocols.legacy_sewing.LegacyAddStartnodeFragments")
 
static basic::Tracer TR ("protocols.legacy_sewing.LegacyAppendAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.LegacyAssemblyConstraintsMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.LegacyAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.sampling.LegacyEnumerateAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.sampling.LegacyGivenPathAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.sampling.LegacyGreedyAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.sampling.LegacyMonteCarloAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.LegacyRepeatAssemblyMover")
 
static basic::Tracer TR ("protocols.legacy_sewing.SewGraph")
 
std::ostream & operator<< (std::ostream &out, ModelNode const &node)
 
std::ostream & operator<< (std::ostream &out, HashEdge const &edge)
 
utility::vector1< BasisPairscores_to_alignments (ScoreResults const &scores)
 
std::string serialize_graph_json (SewGraphCOP graph, core::Size max_nodes)
 Take the given StructureScores and save them to disk. More...
 
static basic::Tracer TR ("protocols.legacy_sewing.io")
 
void write_native_residue_file (NativeRotamersMap native_residue_map, std::string const &filename)
 
NativeRotamersMap read_native_residue_file (std::string const &filename)
 
void write_hashing_scores_to_file (ScoreResults const &scores, std::string filename)
 Take the given StructureScores and save them to disk. More...
 
std::string see_whether_model_is_H_bonded_by_terminal_strands (Model model, std::string const &P_PA)
 Return true if given model is H bonded by terminal strands. More...
 
static basic::Tracer TR ("protocols.legacy_sewing.util")
 
std::map< core::id::AtomID, core::id::AtomIDlargest_continuous_atom_map (std::map< core::id::AtomID, core::id::AtomID > const &atom_map)
 

Variables

static int const CHIMERA_SEGMENT = 0
 
static int const POSE_SEGMENT = -1
 

Typedef Documentation

◆ AssemblyCOP

typedef utility::pointer::shared_ptr< Assembly const > protocols::legacy_sewing::AssemblyCOP

◆ AssemblyOP

typedef utility::pointer::shared_ptr< Assembly > protocols::legacy_sewing::AssemblyOP

◆ AtomMap

◆ BasisPair

◆ HasherCOP

typedef utility::pointer::shared_ptr< Hasher const > protocols::legacy_sewing::HasherCOP

◆ HasherOP

typedef utility::pointer::shared_ptr< Hasher > protocols::legacy_sewing::HasherOP

◆ HashKey

typedef utility::fixedsizearray1<int, 3> protocols::legacy_sewing::HashKey

◆ HashMap

typedef boost::unordered_map<HashKey,utility::vector1< HashValue >,coord_hash,coord_equal_to> protocols::legacy_sewing::HashMap

◆ LegacyAssemblyConstraintsMoverCOP

◆ LegacyAssemblyConstraintsMoverOP

◆ LegacyAssemblyMoverCOP

typedef utility::pointer::shared_ptr< LegacyAssemblyMover const > protocols::legacy_sewing::LegacyAssemblyMoverCOP

◆ LegacyAssemblyMoverOP

◆ LegacyEnumerateAssemblyMoverCOP

◆ LegacyEnumerateAssemblyMoverOP

◆ LegacyMonteCarloAssemblyMoverCOP

◆ LegacyMonteCarloAssemblyMoverOP

◆ LegacyNodeConstraintAssemblyMoverCOP

typedef utility::pointer::shared_ptr< LegacyNodeConstraintAssemblyMover const > protocols::legacy_sewing::LegacyNodeConstraintAssemblyMoverCOP

◆ LegacyNodeConstraintAssemblyMoverOP

typedef utility::pointer::shared_ptr< LegacyNodeConstraintAssemblyMover > protocols::legacy_sewing::LegacyNodeConstraintAssemblyMoverOP

◆ ModelCOP

typedef utility::pointer::shared_ptr< Model const > protocols::legacy_sewing::ModelCOP

◆ ModelOP

typedef utility::pointer::shared_ptr< Model > protocols::legacy_sewing::ModelOP

◆ NativeRotamersMap

typedef std::map<core::Size, utility::vector1<std::pair<bool, core::conformation::ResidueOP> > > protocols::legacy_sewing::NativeRotamersMap

◆ ScoreResult

◆ ScoreResults

◆ SegmentPair

◆ SewGraphCOP

typedef utility::pointer::shared_ptr< SewGraph const > protocols::legacy_sewing::SewGraphCOP

◆ SewGraphOP

typedef utility::pointer::shared_ptr< SewGraph > protocols::legacy_sewing::SewGraphOP

◆ SewSegmentCOP

typedef utility::pointer::shared_ptr< SewSegment const > protocols::legacy_sewing::SewSegmentCOP

◆ SewSegmentOP

typedef utility::pointer::shared_ptr< SewSegment > protocols::legacy_sewing::SewSegmentOP

Enumeration Type Documentation

◆ move_type

Enumerator
ADD_EDGE 
DELETE_EDGE 
SWITCH_EDGE 

Function Documentation

◆ add_linker_segments()

void protocols::legacy_sewing::add_linker_segments ( std::map< int, Model > &  models)

◆ add_num_neighbors()

void protocols::legacy_sewing::add_num_neighbors ( std::map< int, Model > &  )

◆ create_alpha_beta_models_table()

void protocols::legacy_sewing::create_alpha_beta_models_table ( )

◆ create_model_from_pose() [1/2]

Model protocols::legacy_sewing::create_model_from_pose ( core::pose::Pose const &  pose,
int  model_id 
)

Use the given segment-ranges to create a Model. Give this model an id that doesn't currently exist in the given map of models.

References core::pose::Pose::size().

Referenced by protocols::legacy_sewing::LegacyAppendAssemblyMover::apply().

◆ create_model_from_pose() [2/2]

Model protocols::legacy_sewing::create_model_from_pose ( core::pose::Pose const &  pose,
utility::vector1< std::pair< core::Size, core::Size > > const &  segments,
int  model_id 
)

◆ get_5_ss_models_from_db()

std::map< int, Model > protocols::legacy_sewing::get_5_ss_models_from_db ( std::string const &  hash_between)

◆ get_alpha_beta_models_from_db()

std::map< int, Model > protocols::legacy_sewing::get_alpha_beta_models_from_db ( )

◆ get_continuous_models_from_db()

std::map< int, Model > protocols::legacy_sewing::get_continuous_models_from_db ( std::string const &  hash_between)

◆ get_discontinuous_models_from_db()

std::map< int, Model > protocols::legacy_sewing::get_discontinuous_models_from_db ( )

References result_to_models(), and TR().

◆ get_strand_sew_models_from_db()

std::map< int, Model > protocols::legacy_sewing::get_strand_sew_models_from_db ( )

References result_to_models(), and TR().

◆ largest_continuous_atom_map()

std::map< core::id::AtomID, core::id::AtomID > protocols::legacy_sewing::largest_continuous_atom_map ( std::map< core::id::AtomID, core::id::AtomID > const &  atom_map)

◆ operator<<() [1/3]

std::ostream& protocols::legacy_sewing::operator<< ( std::ostream &  out,
Assembly const &  assembly 
)

◆ operator<<() [2/3]

std::ostream& protocols::legacy_sewing::operator<< ( std::ostream &  out,
HashEdge const &  edge 
)

◆ operator<<() [3/3]

std::ostream& protocols::legacy_sewing::operator<< ( std::ostream &  out,
ModelNode const &  node 
)

◆ read_model_file()

std::map< int, Model > protocols::legacy_sewing::read_model_file ( std::string  filename)

◆ read_native_residue_file()

NativeRotamersMap protocols::legacy_sewing::read_native_residue_file ( std::string const &  filename)

◆ remove_models_from_dssp()

void protocols::legacy_sewing::remove_models_from_dssp ( std::map< int, Model > &  models,
char  dssp1,
char  dssp2 
)

◆ result_to_five_ss_models()

std::map< int, Model > protocols::legacy_sewing::result_to_five_ss_models ( cppdb::result  res)

◆ result_to_models()

std::map< int, Model > protocols::legacy_sewing::result_to_models ( cppdb::result  res)

◆ scores_to_alignments()

utility::vector1< BasisPair > protocols::legacy_sewing::scores_to_alignments ( ScoreResults const &  scores)

◆ see_whether_model_is_H_bonded_by_terminal_strands()

std::string protocols::legacy_sewing::see_whether_model_is_H_bonded_by_terminal_strands ( Model  model,
std::string const &  P_PA 
)

◆ serialize_graph_json()

std::string protocols::legacy_sewing::serialize_graph_json ( SewGraphCOP  graph,
core::Size  max_nodes 
)

◆ TR() [1/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.Assembly"  )
static

Referenced by protocols::legacy_sewing::LegacyMonteCarloAssemblyMover::add_edge(), protocols::legacy_sewing::SewGraph::add_edges_from_binary(), add_linker_segments(), protocols::legacy_sewing::LegacyRepeatAssemblyMover::add_repeats(), protocols::legacy_sewing::ContinuousAssembly::append_model(), protocols::legacy_sewing::DisembodiedAssembly::append_model(), protocols::legacy_sewing::LegacyAddStartnodeFragments::apply(), protocols::legacy_sewing::LegacyAppendAssemblyMover::apply(), protocols::legacy_sewing::LegacyAssemblyConstraintsMover::apply(), protocols::legacy_sewing::LegacyAssemblyMover::apply(), protocols::legacy_sewing::LegacyReadNativeRotamersFile::apply(), protocols::legacy_sewing::LegacyReadRepeatNativeRotamersFile::apply(), protocols::legacy_sewing::LegacyAssemblyConstraintsMover::apply_repeat(), protocols::legacy_sewing::LegacyMonteCarloAssemblyMover::boltzman(), create_alpha_beta_models_table(), protocols::legacy_sewing::Assembly::create_chimera_segment(), protocols::legacy_sewing::LegacyMonteCarloAssemblyMover::delete_edge(), protocols::legacy_sewing::LegacyRepeatAssemblyMover::dfs_cycle_finder(), protocols::legacy_sewing::Assembly::find_possible_orders(), protocols::legacy_sewing::Assembly::follow_edge(), protocols::legacy_sewing::LegacyAssemblyMover::follow_random_edge_from_node(), protocols::legacy_sewing::LegacyEnumerateAssemblyMover::generate_assembly(), protocols::legacy_sewing::LegacyGreedyAssemblyMover::generate_assembly(), protocols::legacy_sewing::LegacyMonteCarloAssemblyMover::generate_assembly(), protocols::legacy_sewing::LegacyRepeatAssemblyMover::generate_assembly(), protocols::legacy_sewing::SewGraph::generate_binary_score_file(), get_5_ss_models_from_db(), get_alpha_beta_models_from_db(), get_continuous_models_from_db(), get_discontinuous_models_from_db(), protocols::legacy_sewing::Assembly::get_matching_model_segments(), get_strand_sew_models_from_db(), protocols::legacy_sewing::LegacyAppendAssemblyMover::hash_pdb_model(), protocols::legacy_sewing::Assembly::map_residues(), protocols::legacy_sewing::Assembly::native_positions(), protocols::legacy_sewing::LegacyAssemblyMover::output_stats(), protocols::legacy_sewing::LegacyAssemblyMover::parse_my_tag(), protocols::legacy_sewing::LegacyAssemblyMover::parse_requirements(), read_model_file(), read_native_residue_file(), protocols::legacy_sewing::LegacyAppendAssemblyMover::refine_assembly(), protocols::legacy_sewing::Hasher::remove_connection_inconsistencies(), protocols::legacy_sewing::Hasher::remove_duplicates(), remove_models_from_dssp(), protocols::legacy_sewing::SewGraph::report_binary_stats(), result_to_five_ss_models(), protocols::legacy_sewing::Hasher::score(), protocols::legacy_sewing::Hasher::score_one(), see_whether_model_is_H_bonded_by_terminal_strands(), serialize_graph_json(), protocols::legacy_sewing::SewGraph::SewGraph(), protocols::legacy_sewing::Hasher::trim_scores(), and write_hashing_scores_to_file().

◆ TR() [2/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.ContinuousAssembly"  )
static

◆ TR() [3/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.DisembodiedAssembly"  )
static

◆ TR() [4/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.Hasher"  )
static

◆ TR() [5/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.io"  )
static

◆ TR() [6/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.LegacyAddStartnodeFragments"  )
static

◆ TR() [7/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.LegacyAppendAssemblyMover"  )
static

◆ TR() [8/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.LegacyAssemblyConstraintsMover"  )
static

◆ TR() [9/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.LegacyAssemblyMover"  )
static

◆ TR() [10/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.LegacyRepeatAssemblyMover"  )
static

◆ TR() [11/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.Model"  )
static

◆ TR() [12/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.sampling.LegacyEnumerateAssemblyMover"  )
static

◆ TR() [13/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.sampling.LegacyGivenPathAssemblyMover"  )
static

◆ TR() [14/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.sampling.LegacyGreedyAssemblyMover"  )
static

◆ TR() [15/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.sampling.LegacyMonteCarloAssemblyMover"  )
static

◆ TR() [16/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.SewGraph"  )
static

◆ TR() [17/17]

static basic::Tracer protocols::legacy_sewing::TR ( "protocols.legacy_sewing.util"  )
static

◆ write_hashing_scores_to_file()

void protocols::legacy_sewing::write_hashing_scores_to_file ( ScoreResults const &  scores,
std::string  filename 
)

Take the given StructureScores and save them to disk.

References protocols::abinitio::filename(), protocols::hybridization::score, core::simple_metrics::metrics::sum, and TR().

◆ write_model_file()

void protocols::legacy_sewing::write_model_file ( std::string const &  comments,
std::map< int, Model models,
std::string  filename 
)

◆ write_native_residue_file()

void protocols::legacy_sewing::write_native_residue_file ( NativeRotamersMap  native_residue_map,
std::string const &  filename 
)

Variable Documentation

◆ CHIMERA_SEGMENT

int const protocols::legacy_sewing::CHIMERA_SEGMENT = 0
static

◆ POSE_SEGMENT

int const protocols::legacy_sewing::POSE_SEGMENT = -1
static