![]() |
Rosetta
2016.11
|
Namespaces | |
sampling | |
scoring | |
Typedefs | |
typedef utility::pointer::shared_ptr < Assembly > | AssemblyOP |
typedef utility::pointer::shared_ptr < Assembly const > | AssemblyCOP |
typedef utility::pointer::shared_ptr < Model > | ModelOP |
typedef utility::pointer::shared_ptr < Model const > | ModelCOP |
typedef utility::pointer::shared_ptr < SewSegment > | SewSegmentOP |
typedef utility::pointer::shared_ptr < SewSegment const > | SewSegmentCOP |
typedef utility::pointer::shared_ptr < Hasher > | HasherOP |
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_to > | HashMap |
typedef std::pair< Basis, Basis > | BasisPair |
typedef std::pair< core::Size, core::Size > | SegmentPair |
typedef std::map < core::id::AtomID, core::id::AtomID > | AtomMap |
typedef std::map< BasisPair, HashResult > | ScoreResults |
typedef std::pair< BasisPair, HashResult > | ScoreResult |
typedef utility::pointer::shared_ptr < AssemblyConstraintsMover > | AssemblyConstraintsMoverOP |
typedef utility::pointer::shared_ptr < AssemblyConstraintsMover const > | AssemblyConstraintsMoverCOP |
typedef utility::pointer::shared_ptr < AssemblyMover > | AssemblyMoverOP |
typedef utility::pointer::shared_ptr < AssemblyMover const > | AssemblyMoverCOP |
typedef utility::pointer::shared_ptr < EnumerateAssemblyMover > | EnumerateAssemblyMoverOP |
typedef utility::pointer::shared_ptr < EnumerateAssemblyMover const > | EnumerateAssemblyMoverCOP |
typedef utility::pointer::shared_ptr < LoophashAssemblyMover > | LoophashAssemblyMoverOP |
typedef utility::pointer::shared_ptr < LoophashAssemblyMover const > | LoophashAssemblyMoverCOP |
typedef utility::pointer::shared_ptr < MonteCarloAssemblyMover > | MonteCarloAssemblyMoverOP |
typedef utility::pointer::shared_ptr < MonteCarloAssemblyMover const > | MonteCarloAssemblyMoverCOP |
typedef utility::pointer::shared_ptr < NodeConstraintAssemblyMover > | NodeConstraintAssemblyMoverOP |
typedef utility::pointer::shared_ptr < NodeConstraintAssemblyMover const > | NodeConstraintAssemblyMoverCOP |
typedef utility::pointer::shared_ptr < RehashAssemblyMover > | RehashAssemblyMoverOP |
typedef utility::pointer::shared_ptr < RehashAssemblyMover const > | RehashAssemblyMoverCOP |
typedef utility::pointer::shared_ptr < SewGraph > | SewGraphOP |
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.sewing.Assembly") |
std::ostream & | operator<< (std::ostream &out, Assembly const &assembly) |
static basic::Tracer | TR ("protocols.sewing.ContinuousAssembly") |
static basic::Tracer | TR ("protocols.sewing.DisembodiedAssembly") |
static basic::Tracer | TR ("protocols.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, Model > | result_to_models (cppdb::result res) |
std::map< int, Model > | result_to_five_ss_models (cppdb::result res) |
std::map< int, Model > | get_discontinuous_models_from_db () |
std::map< int, Model > | get_strand_sew_models_from_db () |
std::map< int, Model > | get_continuous_models_from_db (std::string hash_between) |
std::map< int, Model > | get_5_ss_models_from_db (std::string 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, Model > | get_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, Model > | read_model_file (std::string filename) |
static basic::Tracer | TR ("protocols.sewing.Hasher") |
static basic::Tracer | TR ("protocols.sewing.AddStartnodeFragments") |
static basic::Tracer | TR ("protocols.sewing.AppendAssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.AssemblyConstraintsMover") |
static basic::Tracer | TR ("protocols.sewing.AssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.sampling.EnumerateAssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.sampling.GivenPathAssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.sampling.GreedyAssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.sampling.MonteCarloAssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.RepeatAssemblyMover") |
static basic::Tracer | TR ("protocols.sewing.SewGraph") |
std::ostream & | operator<< (std::ostream &out, ModelNode const &node) |
std::ostream & | operator<< (std::ostream &out, HashEdge const &edge) |
utility::vector1< BasisPair > | scores_to_alignments (ScoreResults const &scores) |
std::string | serialize_graph_json (SewGraphCOP graph, core::Size max_nodes) |
static basic::Tracer | TR ("protocols.sewing.io") |
void | write_native_residue_file (NativeRotamersMap native_residue_map, std::string filename) |
NativeRotamersMap | read_native_residue_file (std::string 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 P_PA) |
Return true if given model is H bonded by terminal strands. More... | |
utility::vector1< BasisPair > | read_hashing_scores_from_file (std::string filename) |
Take the given StructureScores and save them to disk. More... | |
static basic::Tracer | TR ("protocols.sewing.util") |
std::map< core::id::AtomID, core::id::AtomID > | largest_continuous_atom_map (std::map< core::id::AtomID, core::id::AtomID > const &atom_map) |
Variables | |
static int const | CHIMERA_SEGMENT = 0 |
typedef utility::pointer::shared_ptr< AssemblyConstraintsMover const > protocols::sewing::AssemblyConstraintsMoverCOP |
typedef utility::pointer::shared_ptr< AssemblyConstraintsMover > protocols::sewing::AssemblyConstraintsMoverOP |
typedef utility::pointer::shared_ptr< Assembly const > protocols::sewing::AssemblyCOP |
typedef utility::pointer::shared_ptr< AssemblyMover const > protocols::sewing::AssemblyMoverCOP |
typedef utility::pointer::shared_ptr< AssemblyMover > protocols::sewing::AssemblyMoverOP |
typedef utility::pointer::shared_ptr< Assembly > protocols::sewing::AssemblyOP |
typedef std::map< core::id::AtomID, core::id::AtomID > protocols::sewing::AtomMap |
typedef std::pair< Basis, Basis > protocols::sewing::BasisPair |
typedef utility::pointer::shared_ptr< EnumerateAssemblyMover const > protocols::sewing::EnumerateAssemblyMoverCOP |
typedef utility::pointer::shared_ptr< EnumerateAssemblyMover > protocols::sewing::EnumerateAssemblyMoverOP |
typedef utility::pointer::shared_ptr< Hasher const > protocols::sewing::HasherCOP |
typedef utility::pointer::shared_ptr< Hasher > protocols::sewing::HasherOP |
typedef utility::fixedsizearray1<int, 3> protocols::sewing::HashKey |
typedef boost::unordered_map<HashKey,utility::vector1< HashValue >,coord_hash,coord_equal_to> protocols::sewing::HashMap |
typedef utility::pointer::shared_ptr< LoophashAssemblyMover const > protocols::sewing::LoophashAssemblyMoverCOP |
typedef utility::pointer::shared_ptr< LoophashAssemblyMover > protocols::sewing::LoophashAssemblyMoverOP |
typedef utility::pointer::shared_ptr< Model const > protocols::sewing::ModelCOP |
typedef utility::pointer::shared_ptr< Model > protocols::sewing::ModelOP |
typedef utility::pointer::shared_ptr< MonteCarloAssemblyMover const > protocols::sewing::MonteCarloAssemblyMoverCOP |
typedef utility::pointer::shared_ptr< MonteCarloAssemblyMover > protocols::sewing::MonteCarloAssemblyMoverOP |
typedef std::map<core::Size, utility::vector1<std::pair<bool, core::conformation::ResidueOP> > > protocols::sewing::NativeRotamersMap |
typedef utility::pointer::shared_ptr< NodeConstraintAssemblyMover const > protocols::sewing::NodeConstraintAssemblyMoverCOP |
typedef utility::pointer::shared_ptr< NodeConstraintAssemblyMover > protocols::sewing::NodeConstraintAssemblyMoverOP |
typedef utility::pointer::shared_ptr< RehashAssemblyMover const > protocols::sewing::RehashAssemblyMoverCOP |
typedef utility::pointer::shared_ptr< RehashAssemblyMover > protocols::sewing::RehashAssemblyMoverOP |
typedef std::pair< BasisPair, HashResult > protocols::sewing::ScoreResult |
typedef std::map< BasisPair, HashResult > protocols::sewing::ScoreResults |
typedef std::pair< core::Size, core::Size> protocols::sewing::SegmentPair |
typedef utility::pointer::shared_ptr< SewGraph const > protocols::sewing::SewGraphCOP |
typedef utility::pointer::shared_ptr< SewGraph > protocols::sewing::SewGraphOP |
typedef utility::pointer::shared_ptr< SewSegment const > protocols::sewing::SewSegmentCOP |
typedef utility::pointer::shared_ptr< SewSegment > protocols::sewing::SewSegmentOP |
void protocols::sewing::add_linker_segments | ( | std::map< int, Model > & | models | ) |
Go through the list of models and add extra 'linker' segments to Models that have secondary structure segments that are separated by a single "linker" segments. These linker segments will not be hashed by the Hasher class. Segments with linkers will have their next_segment_ populated so that the order is maintained in the assembly
References protocols::sewing::SegmentGraph::add_connection(), protocols::sewing::SewAtom::atomno_, protocols::sewing::SewResidue::basis_atoms_, protocols::sewing::SewResidue::chi_angles_, protocols::simple_filters::coords(), protocols::sewing::SewAtom::coords_, protocols::sewing::SewSegment::hash_, protocols::sewing::SewSegment::model_id_, protocols::sewing::Model::model_id_, protocols::sewing::SewResidue::residue_type_, protocols::sewing::SewSegment::residues_, protocols::sewing::SewResidue::resnum_, protocols::sewing::SewSegment::segment_id_, protocols::sewing::Model::segments_, protocols::sewing::Model::structure_id_, and TR().
void protocols::sewing::add_num_neighbors | ( | std::map< int, Model > & | ) |
void protocols::sewing::create_alpha_beta_models_table | ( | ) |
Model protocols::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::total_residue().
Referenced by protocols::sewing::AppendAssemblyMover::apply().
Model protocols::sewing::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.
create a Model from the pose
References protocols::sewing::SegmentGraph::add_connection(), core::conformation::Residue::atom(), protocols::sewing::SewAtom::atomno_, protocols::sewing::SewResidue::basis_atoms_, core::conformation::Residue::chi(), protocols::sewing::SewResidue::chi_angles_, protocols::sewing::SewAtom::coords_, protocols::sewing::SewSegment::dssp_, protocols::sewing::SewSegment::hash_, protocols::sewing::SewSegment::model_id_, protocols::sewing::Model::model_id_, core::chemical::ResidueType::name(), core::pose::Pose::residue(), protocols::sewing::SewResidue::residue_type_, protocols::sewing::SewSegment::residues_, protocols::sewing::SewResidue::resnum_, core::pose::Pose::secstruct(), protocols::sewing::SewSegment::segment_id_, protocols::sewing::Model::segments_, core::conformation::Residue::type(), and core::conformation::Atom::xyz().
std::map< int, Model > protocols::sewing::get_5_ss_models_from_db | ( | std::string | hash_between | ) |
References result_to_five_ss_models(), protocols::sewing::Model::segments_, and TR().
std::map< int, Model > protocols::sewing::get_alpha_beta_models_from_db | ( | ) |
std::map< int, Model > protocols::sewing::get_continuous_models_from_db | ( | std::string | hash_between | ) |
std::map< int, Model > protocols::sewing::get_discontinuous_models_from_db | ( | ) |
References result_to_models(), and TR().
std::map< int, Model > protocols::sewing::get_strand_sew_models_from_db | ( | ) |
References result_to_models(), and TR().
std::map< core::id::AtomID, core::id::AtomID > protocols::sewing::largest_continuous_atom_map | ( | std::map< core::id::AtomID, core::id::AtomID > const & | atom_map | ) |
Referenced by protocols::sewing::Assembly::create_chimera_segment().
std::ostream& protocols::sewing::operator<< | ( | std::ostream & | out, |
ModelNode const & | node | ||
) |
std::ostream& protocols::sewing::operator<< | ( | std::ostream & | out, |
HashEdge const & | edge | ||
) |
References protocols::sewing::HashEdge::basis_pair_.
std::ostream& protocols::sewing::operator<< | ( | std::ostream & | out, |
Assembly const & | assembly | ||
) |
utility::vector1<BasisPair> protocols::sewing::read_hashing_scores_from_file | ( | std::string | filename | ) |
Take the given StructureScores and save them to disk.
std::map< int, Model > protocols::sewing::read_model_file | ( | std::string | filename | ) |
References protocols::sewing::SegmentGraph::add_connection(), protocols::sewing::SewAtom::atomno_, protocols::sewing::SewResidue::basis_atoms_, protocols::sewing::SewResidue::chi_angles_, protocols::sewing::SewAtom::coords_, protocols::sewing::Model::distance_, protocols::sewing::SewSegment::dssp_, protocols::sewing::SewSegment::hash_, protocols::sewing::Model::hoist_angle_degrees_, protocols::sewing::Model::meridian_angle_degrees_, protocols::sewing::SewSegment::model_id_, protocols::sewing::Model::model_id_, protocols::sewing::SewResidue::num_neighbors_, protocols::sewing::Model::packing_angle_degrees_, protocols::sewing::Model::pdb_code_, protocols::sewing::SewResidue::residue_type_, protocols::sewing::SewSegment::residues_, protocols::sewing::SewResidue::resnum_, protocols::sewing::SewSegment::segment_id_, protocols::sewing::Model::segments_, protocols::sewing::Model::structure_id_, and TR().
Referenced by protocols::sewing::EnumerateAssemblyMover::generate_assembly(), protocols::sewing::RehashAssemblyMover::parse_my_tag(), protocols::sewing::AppendAssemblyMover::parse_my_tag(), and protocols::sewing::AssemblyMover::parse_my_tag().
NativeRotamersMap protocols::sewing::read_native_residue_file | ( | std::string | filename | ) |
void protocols::sewing::remove_models_from_dssp | ( | std::map< int, Model > & | models, |
char | dssp1, | ||
char | dssp2 | ||
) |
Will only work for smotif models!!!
References protocols::sewing::Model::model_id_, protocols::sewing::Model::segments_, core::id::to_string(), and TR().
std::map< int, Model > protocols::sewing::result_to_five_ss_models | ( | cppdb::result | res | ) |
References protocols::sewing::SewAtom::atomno_, protocols::sewing::SewResidue::basis_atoms_, protocols::sewing::SewResidue::chi_angles_, protocols::simple_filters::coords(), protocols::sewing::SewAtom::coords_, protocols::simple_filters::dssp(), protocols::sewing::SewSegment::dssp_, protocols::sewing::SewSegment::model_id_, protocols::sewing::Model::model_id_, protocols::sewing::Model::pdb_code_, protocols::sewing::SewResidue::residue_type_, protocols::sewing::SewSegment::residues_, protocols::sewing::SewResidue::resnum_, protocols::sewing::SewSegment::segment_id_, protocols::sewing::Model::segments_, protocols::sewing::Model::structure_id_, and TR().
Referenced by get_5_ss_models_from_db().
std::map< int, Model > protocols::sewing::result_to_models | ( | cppdb::result | res | ) |
References protocols::sewing::SewAtom::atomno_, protocols::sewing::SewResidue::basis_atoms_, protocols::sewing::SewResidue::chi_angles_, protocols::simple_filters::coords(), protocols::sewing::SewAtom::coords_, core::kinematics::distance(), protocols::sewing::Model::distance_, protocols::simple_filters::dssp(), protocols::sewing::SewSegment::dssp_, protocols::sewing::Model::hoist_angle_degrees_, protocols::sewing::Model::meridian_angle_degrees_, protocols::sewing::SewSegment::model_id_, protocols::sewing::Model::model_id_, protocols::sewing::Model::packing_angle_degrees_, protocols::sewing::Model::pdb_code_, protocols::sewing::SewResidue::residue_type_, protocols::sewing::SewSegment::residues_, protocols::sewing::SewResidue::resnum_, protocols::sewing::SewSegment::segment_id_, protocols::sewing::Model::segments_, and protocols::sewing::Model::structure_id_.
Referenced by get_alpha_beta_models_from_db(), get_continuous_models_from_db(), get_discontinuous_models_from_db(), and get_strand_sew_models_from_db().
utility::vector1< BasisPair > protocols::sewing::scores_to_alignments | ( | ScoreResults const & | scores | ) |
std::string protocols::sewing::see_whether_model_is_H_bonded_by_terminal_strands | ( | Model | model, |
std::string | P_PA | ||
) |
Return true if given model is H bonded by terminal strands.
References protocols::stepwise::modeler::rna::file_exists(), protocols::features::strand_assembly::find_sheet(), protocols::sewing::Model::pdb_code_, core::import_pose::PDB_file, core::pose::Pose::pdb_info(), core::import_pose::pose_from_file(), protocols::sewing::Model::segments_, and TR().
std::string protocols::sewing::serialize_graph_json | ( | SewGraphCOP | graph, |
core::Size | max_nodes | ||
) |
References protocols::sewing::HashEdge::basis_pair(), core::graph::Node::const_upper_edge_list_begin(), core::graph::Node::const_upper_edge_list_end(), core::graph::Edge::get_other_ind(), protocols::sewing::ModelNode::model(), protocols::sewing::Model::model_id_, protocols::sewing::Model::pdb_code_, protocols::sewing::Model::pose_number(), and TR().
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
|
static |
Referenced by protocols::sewing::MonteCarloAssemblyMover::add_edge(), protocols::sewing::SewGraph::add_edges_from_binary(), add_linker_segments(), protocols::sewing::RepeatAssemblyMover::add_repeats(), protocols::sewing::DisembodiedAssembly::append_model(), protocols::sewing::ContinuousAssembly::append_model(), protocols::sewing::AddStartnodeFragments::apply(), protocols::sewing::ReadNativeRotamersFile::apply(), protocols::sewing::AssemblyMover::apply(), protocols::sewing::AppendAssemblyMover::apply(), protocols::sewing::NodeConstraintAssemblyMover::apply(), protocols::sewing::ReadRepeatNativeRotamersFile::apply(), protocols::sewing::AssemblyConstraintsMover::apply(), protocols::sewing::AssemblyConstraintsMover::apply_repeat(), protocols::sewing::MonteCarloAssemblyMover::boltzman(), protocols::sewing::NodeConstraintAssemblyMover::check_all_nodes(), create_alpha_beta_models_table(), protocols::sewing::MonteCarloAssemblyMover::delete_edge(), protocols::sewing::RepeatAssemblyMover::dfs_cycle_finder(), protocols::sewing::AssemblyMover::follow_random_edge_from_node(), protocols::sewing::GreedyAssemblyMover::generate_assembly(), protocols::sewing::EnumerateAssemblyMover::generate_assembly(), protocols::sewing::RehashAssemblyMover::generate_assembly(), protocols::sewing::MonteCarloAssemblyMover::generate_assembly(), protocols::sewing::RepeatAssemblyMover::generate_assembly(), protocols::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(), get_strand_sew_models_from_db(), protocols::sewing::AppendAssemblyMover::hash_pdb_model(), protocols::sewing::AssemblyMover::output_stats(), protocols::sewing::AssemblyMover::parse_my_tag(), protocols::sewing::AssemblyMover::parse_requirements(), read_model_file(), read_native_residue_file(), protocols::sewing::RehashAssemblyMover::rearrange_assembly(), protocols::sewing::AppendAssemblyMover::refine_assembly(), protocols::sewing::Hasher::remove_connection_inconsistencies(), protocols::sewing::Hasher::remove_duplicates(), remove_models_from_dssp(), protocols::sewing::SewGraph::report_binary_stats(), result_to_five_ss_models(), protocols::sewing::Hasher::score(), protocols::sewing::Hasher::score_one(), see_whether_model_is_H_bonded_by_terminal_strands(), serialize_graph_json(), protocols::sewing::SewGraph::SewGraph(), protocols::sewing::Hasher::trim_scores(), and write_hashing_scores_to_file().
void protocols::sewing::write_hashing_scores_to_file | ( | ScoreResults const & | scores, |
std::string | filename | ||
) |
Take the given StructureScores and save them to disk.
References TR().
void protocols::sewing::write_model_file | ( | std::string const & | comments, |
std::map< int, Model > | models, | ||
std::string | filename | ||
) |
References protocols::sewing::SewAtom::atomno_, protocols::sewing::SewResidue::basis_atoms_, protocols::sewing::SewResidue::chi_angles_, protocols::sewing::SewAtom::coords_, protocols::sewing::Model::distance_, protocols::sewing::SewSegment::dssp_, protocols::sewing::SewSegment::hash_, protocols::sewing::Model::hoist_angle_degrees_, protocols::sewing::Model::meridian_angle_degrees_, protocols::sewing::Model::model_id_, protocols::sewing::SewResidue::num_neighbors_, protocols::sewing::Model::packing_angle_degrees_, protocols::sewing::Model::pdb_code_, protocols::sewing::SewResidue::residue_type_, protocols::sewing::SewSegment::residues_, protocols::sewing::SewResidue::resnum_, protocols::sewing::SewSegment::segment_id_, protocols::sewing::Model::segments_, and protocols::sewing::Model::structure_id_.
Referenced by protocols::sewing::ContinuousAssembly::append_model().
void protocols::sewing::write_native_residue_file | ( | NativeRotamersMap | native_residue_map, |
std::string | filename | ||
) |
Referenced by protocols::sewing::AssemblyMover::output_stats().
|
static |
Referenced by protocols::sewing::Assembly::create_chimera_segment().