Rosetta
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#include <SandwichFeatures.hh>
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SandwichFeatures () | |
~SandwichFeatures () override | |
void | write_schema_to_db (utility::sql_database::sessionOP db_session) const override |
generate the table schemas and write them to the database More... | |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override |
utility::vector1< std::string > | features_reporter_dependencies () const override |
return the set of features reporters that are required to also already be extracted by the time this one is used. More... | |
core::Size | report_features (core::pose::Pose const &pose, utility::vector1< bool > const &relevant_residues, StructureID struct_id, utility::sql_database::sessionOP db_session) override |
collect all the feature data for the pose More... | |
std::string | type_name () const override |
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FeaturesReporter () | |
~FeaturesReporter () override | |
Automatically generated virtual destructor for class deriving directly from VirtualBase. More... | |
virtual std::string | schema () const |
return sql statements that sets up the appropriate tables to contain the features. This should be removed once everything has been moved to the schema generator More... | |
core::Size | report_features (core::pose::Pose const &, StructureID, utility::sql_database::sessionOP) |
collect all the feature data for the pose. More... | |
virtual void | load_into_pose (utility::sql_database::sessionOP, StructureID, core::pose::Pose &) |
virtual void | delete_record (StructureID, utility::sql_database::sessionOP) |
void | set_relevant_residues_mode (RelevantResiduesMode::T setting) |
RelevantResiduesMode::T | get_relevant_residues_mode () const |
bool | check_relevant_residues (utility::vector1< bool > const &relevant_residues, core::Size res1) const |
bool | check_relevant_residues (utility::vector1< bool > const &relevant_residues, core::Size res1, core::Size res2) const |
bool | check_relevant_residues_range (utility::vector1< bool > const &relevant_residues, core::Size res1, core::Size res2) const |
bool | check_relevant_residues (utility::vector1< bool > const &relevant_residues, utility::vector1< core::Size > const &residues) const |
Static Public Member Functions | |
static std::string | class_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
Private Member Functions | |
core::scoring::ScoreFunctionOP | generate_scorefxn (bool fullatom=false) |
create score-functions for centroid and fullatom level More... | |
Additional Inherited Members | |
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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... | |
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RelevantResiduesMode::T | relevant_residues_mode_ |
protocols::features::strand_assembly::SandwichFeatures::SandwichFeatures | ( | ) |
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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.
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create score-functions for centroid and fullatom level
References core::scoring::ScoreFunctionFactory::create_score_function(), and core::scoring::get_score_function().
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Reimplemented from protocols::features::FeaturesReporter.
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collect all the feature data for the pose
Implements protocols::features::FeaturesReporter.
References protocols::features::strand_assembly::cal_num_of_sheets_that_surround_this_sheet(), core::pose::Pose::center(), protocols::features::strand_assembly::change_sheet_id_if_possible(), protocols::features::strand_assembly::check_canonicalness_of_LR(), protocols::features::strand_assembly::check_canonicalness_of_PA(), protocols::features::strand_assembly::check_canonicalness_of_parallel_EE(), protocols::features::strand_assembly::check_heading_direction(), protocols::features::strand_assembly::check_helix_existence(), protocols::features::strand_assembly::check_LR(), protocols::features::strand_assembly::check_PA(), protocols::features::strand_assembly::check_strand_too_closeness(), protocols::features::strand_assembly::check_sw_by_dis(), protocols::features::strand_assembly::check_whether_hairpin_connects_short_strand(), protocols::features::strand_assembly::check_whether_same_direction_strands_connect_two_sheets_or_a_loop(), protocols::features::strand_assembly::check_whether_sheets_are_connected_with_near_bb_atoms(), protocols::features::strand_assembly::check_whether_strand_i_is_in_sheet(), protocols::features::strand_assembly::check_whether_sw_is_not_connected_with_continuous_atoms(), protocols::features::strand_assembly::check_whether_this_pdb_should_be_excluded(), protocols::features::strand_assembly::delete_this_struct_id(), protocols::features::strand_assembly::delete_this_sw_can_by_sh_id_from_sw_by_comp(), protocols::simple_filters::dssp(), protocols::features::strand_assembly::find_sheet(), protocols::features::strand_assembly::get_avg_dis_strands(), protocols::features::strand_assembly::get_current_strands_in_sheet(), protocols::features::strand_assembly::get_distinct_sheet_id_from_sheet_table(), protocols::features::strand_assembly::get_full_strands(), protocols::features::strand_assembly::get_full_strands_from_sheet(), protocols::features::strand_assembly::get_max_sheet_id(), protocols::features::strand_assembly::get_next_starting_res_for_connecting_strands(), protocols::features::strand_assembly::get_num_of_sheets_that_surround_this_sheet(), protocols::features::strand_assembly::get_num_strands_in_this_sheet(), protocols::features::strand_assembly::get_segment_id(), protocols::features::strand_assembly::get_size_sandwich_PK_id(), protocols::features::strand_assembly::get_starting_res_for_connecting_strands(), protocols::features::strand_assembly::get_tag(), protocols::features::strand_assembly::get_vec_of_sw_can_by_sh_id(), core::pose::Pose::is_fullatom(), protocols::features::strand_assembly::judge_facing(), protocols::features::strand_assembly::prepare_and_write_number_of_electrostatic_interactions_of_residues_to_files(), protocols::features::strand_assembly::prepare_WriteToDB_sandwich(), protocols::features::strand_assembly::process_decoy(), protocols::features::strand_assembly::Run_WriteToDB_sandwich(), core::pose::Pose::secstruct(), protocols::features::strand_assembly::see_whether_sheet_is_antiparallel(), protocols::features::strand_assembly::see_whether_this_sw_has_SS_bond(), core::pose::Pose::size(), core::simple_metrics::metrics::sum, protocols::features::strand_assembly::TR(), protocols::features::strand_assembly::write_AA_distribution_with_direction_to_a_file(), protocols::features::strand_assembly::write_AA_distribution_without_direction_to_a_file(), protocols::features::strand_assembly::write_AA_kind_to_a_file(), protocols::features::strand_assembly::write_beta_sheet_capping_info_to_a_file(), protocols::features::strand_assembly::write_chain_B_resNum_to_a_file(), protocols::features::strand_assembly::write_heading_direction_of_all_AA_in_a_strand_to_a_file(), protocols::features::strand_assembly::write_p_aa_pp_of_AAs_to_a_file(), protocols::features::strand_assembly::write_phi_psi_of_each_residue_to_a_file(), protocols::features::strand_assembly::write_rama_of_AAs_to_a_file(), protocols::features::strand_assembly::write_resfile_to_a_file(), protocols::features::strand_assembly::write_resfile_to_a_file_when_seq_rec_is_bad(), protocols::features::strand_assembly::WriteToDB_avg_b_factor_CB_at_each_component(), protocols::features::strand_assembly::WriteToDB_dihedral_angle_between_core_strands_across_facing_sheets(), protocols::features::strand_assembly::WriteToDB_dssp_ratio_in_sw(), protocols::features::strand_assembly::WriteToDB_ending_loop(), protocols::features::strand_assembly::WriteToDB_hydrophobic_ratio_net_charge(), protocols::features::strand_assembly::WriteToDB_long_strand_id_in_each_sw(), protocols::features::strand_assembly::WriteToDB_min_avg_dis_between_sheets_by_cen_res(), protocols::features::strand_assembly::WriteToDB_min_dis_between_sheets_by_all_res(), protocols::features::strand_assembly::WriteToDB_number_of_AAs_in_a_pair_of_edge_strands(), protocols::features::strand_assembly::WriteToDB_number_of_core_heading_FWY_in_sw(), protocols::features::strand_assembly::WriteToDB_number_of_core_heading_LWY_in_core_strands_in_sw(), protocols::features::strand_assembly::WriteToDB_number_of_core_heading_W_in_sw(), protocols::features::strand_assembly::WriteToDB_number_of_edge_strands_in_each_sw(), protocols::features::strand_assembly::WriteToDB_number_of_sheets_that_surround_this_sheet(), protocols::features::strand_assembly::WriteToDB_number_strands_in_each_sw(), protocols::features::strand_assembly::WriteToDB_ratio_of_core_heading_FWY_in_sw(), protocols::features::strand_assembly::WriteToDB_sandwich_by_AA_w_direction(), protocols::features::strand_assembly::WriteToDB_sheet(), protocols::features::strand_assembly::WriteToDB_sheet_antiparallel(), protocols::features::strand_assembly::WriteToDB_sheet_connectivity(), protocols::features::strand_assembly::WriteToDB_shortest_dis_between_facing_aro_in_sw(), protocols::features::strand_assembly::WriteToDB_starting_loop(), protocols::features::strand_assembly::WriteToDB_sw_can_by_sh(), protocols::features::strand_assembly::WriteToDB_sw_res_size(), protocols::features::strand_assembly::WriteToDB_topology_candidate(), protocols::features::strand_assembly::WriteToDB_turn_AA(), protocols::features::strand_assembly::WriteToDB_turn_type(), and protocols::features::strand_assembly::WriteToDB_whether_sw_is_not_connected_with_continuous_atoms().
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Reimplemented from protocols::features::FeaturesReporter.
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generate the table schemas and write them to the database
Implements protocols::features::FeaturesReporter.
References protocols::features::A, core::chemical::element::C, core::id::D, protocols::features::E, core::chemical::element::F, protocols::comparative_modeling::features::G, core::chemical::element::H, core::chemical::element::I, core::chemical::element::K, protocols::features::L, core::chemical::element::N, core::chemical::element::S, core::scoring::sheet, core::chemical::element::V, core::chemical::element::W, and core::chemical::element::Y.
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