![]() |
Rosetta Protocols
2014.35
|
#include <ProteinBackboneAtomAtomPairFeatures.hh>
Private Member Functions | |
void | write_protein_backbone_atom_atom_pairs_table_schema (utility::sql_database::sessionOP db_session) const |
generate the protein_backbone_atom_atom_pairs table schema More... | |
Additional Inherited Members | |
![]() | |
std::string | find_tag (core::pose::Pose const &pose) const |
void | delete_records_from_table (std::string const &table_name, StructureID struct_id, utility::sql_database::sessionOP db_session) |
a helper function for deleting data associated with a given structure from feature database WARNING table_name must be sanitized! More... | |
![]() | |
RelevantResiduesMode::T | relevant_residues_mode_ |
protocols::features::ProteinBackboneAtomAtomPairFeatures::ProteinBackboneAtomAtomPairFeatures | ( | ) |
protocols::features::ProteinBackboneAtomAtomPairFeatures::ProteinBackboneAtomAtomPairFeatures | ( | ProteinBackboneAtomAtomPairFeatures const & | src | ) |
|
virtual |
|
virtual |
return the set of features reporters that are required to also already be extracted by the time this one is used.
Reimplemented from protocols::features::FeaturesReporter.
|
virtual |
collect all the feature data for the pose
These atom-atom pairs follow the analysis done in:
Song Y, Tyka M, Leaver-Fay A, Thompson J, Baker D. Structure guided forcefield optimization. Proteins: Structure, Function, and Bioinformatics. 2011:n/a-n/a. Available at: http://doi.wiley.com/10.1002/prot.23013 [Accessed April 4, 2011].
The HBond geometries are recoded in the HBondFeatures reporter
Implements protocols::features::FeaturesReporter.
References core::conformation::Residue::aa(), core::chemical::aa_gly, protocols::features::FeaturesReporter::check_relevant_residues(), core::graph::Node::const_edge_list_end(), core::pose::Pose::energies(), core::graph::Edge::get_node(), core::conformation::Residue::is_protein(), core::pose::Pose::residue(), basic::database::safely_prepare_statement(), basic::database::safely_write_to_database(), core::scoring::Energies::tenA_neighbor_graph(), core::pose::Pose::total_residue(), and core::conformation::Residue::xyz().
|
virtual |
return string with class name
Reimplemented from protocols::features::FeaturesReporter.
|
private |
generate the protein_backbone_atom_atom_pairs table schema
References basic::database::schema_generator::Schema::add_column(), basic::database::schema_generator::Schema::add_foreign_key(), table, and basic::database::schema_generator::Schema::write().
Referenced by write_schema_to_db().
|
virtual |
generate the table schemas and write them to the database
Implements protocols::features::FeaturesReporter.
References write_protein_backbone_atom_atom_pairs_table_schema().