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util.cc File Reference

Utility functions for Pose Sewing. More...

#include <protocols/pose_sewing/util.hh>
#include <protocols/sewing/scoring/MotifScorer.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/pose/util.hh>
#include <core/pose/annotated_sequence.hh>
#include <core/pose/motif/reference_frames.hh>
#include <core/pose/datacache/CacheableObserver.hh>
#include <core/pose/datacache/ObserverCache.hh>
#include <core/conformation/Atom.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Conformation.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/util.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/scoring/motif/util.hh>
#include <numeric/HomogeneousTransform.hh>
#include <numeric/xyzTransform.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <utility/string_util.hh>
#include <basic/Tracer.hh>
#include <cmath>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::pose_sewing
 

Functions

static basic::Tracer TR ("protocols.pose_sewing.util")
 
void protocols::pose_sewing::identify_ss_blocks (std::set< core::select::residue_selector::ResidueSubset > &outset, utility::vector1< bool > const &subset)
 Get residues in each block through a set of equal subsets. Number of subsets are the number of SS blocks. More...
 
void protocols::pose_sewing::identify_ss_blocks_vec (utility::vector1< core::select::residue_selector::ResidueSubset > &out_vec, utility::vector1< bool > const &subset)
 Will eventually replace standard function. More...
 
void protocols::pose_sewing::calculate_blocks (std::map< core::Size, core::Size > &outmap, core::pose::Pose const &pose)
 Assign E/H blocks in the given pose. More...
 
void protocols::pose_sewing::calculate_helices (std::map< core::Size, core::Size > &outmap, core::pose::Pose const &pose, core::Size min_length)
 
void protocols::pose_sewing::calculate_blocks_from_subset (std::map< core::Size, core::Size > &outmap, utility::vector1< bool > const &subset)
 Assign arbitrary blocks from a Residue subset. More...
 
bool protocols::pose_sewing::all_L_dssp (core::pose::Pose const &pose)
 Is the DSSP all loop? A pose unfortunately starts with all L as the DSSP when creating a pose from seq and inserting residues as is done for segments. More...
 
core::Real protocols::pose_sewing::calculate_motif_score_bt_residues (sewing::scoring::MotifScorer const &scorer, core::conformation::Residue const &res1, core::conformation::Residue const &res2, char res1_SS, char res2_SS)
 Calculate the motif score between two residues. More...
 
core::Real protocols::pose_sewing::calculate_distance_score_bt_residues (core::conformation::Residue const &N_res, core::conformation::Residue const &C_res, core::Real min_score, core::Real min_distance, core::Real dist_mult)
 
void protocols::pose_sewing::calculate_bw_pose_compat_motifs (std::map< std::string, core::Real > &outmap, core::pose::Pose const &pose, std::set< core::select::residue_selector::ResidueSubset > const &block_selections, bool drop_best=true, bool normalize_by_residues=false, core::Real max_pair_score=0, bool use_motifs=true)
 Core code to calculate BlockWise/Elementwise Pose Compatable Motif Metrics. Reports worst score found for each block (Number as a string for the metric) If max_pair_score is something not 0, will use it (essentially used for filtering outside of metrics). More...
 
void protocols::pose_sewing::calculate_bw_window_motifs (std::map< std::string, core::Real > &outmap, core::pose::Pose const &pose, std::set< core::select::residue_selector::ResidueSubset > const &block_selections, core::Size window_width=3, bool use_motifs=true)
 Core code to calculate window metrics. Returns worst score for each window, represented as a string for the metric. More...
 

Detailed Description

Utility functions for Pose Sewing.

Author
Frank Teets (frank.nosp@m..tee.nosp@m.ts@pr.nosp@m.otei.nosp@m.ninno.nosp@m.vati.nosp@m.on.or.nosp@m.g)
Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)

Function Documentation

◆ TR()

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