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sasapack.cc File Reference
#include <protocols/sasa_scores/sasapack.hh>
#include <core/id/AtomID.hh>
#include <core/id/AtomID_Map.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/sasa.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/Energies.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/pose/util.tmpl.hh>
#include <core/pose/symmetry/util.hh>
#include <core/chemical/VariantType.hh>
#include <basic/Tracer.hh>
#include <basic/database/open.hh>
#include <utility/io/izstream.hh>
#include <utility/vector1.hh>
#include <utility/vector1.functions.hh>
#include <ObjexxFCL/string.functions.hh>
#include <ObjexxFCL/format.hh>

Classes

class  protocols::sasa_scores::Poly
 
class  protocols::sasa_scores::PPoly
 

Namespaces

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

Typedefs

using protocols::sasa_scores::Reals = utility::vector1< Real >
 

Functions

static basic::Tracer TR ("protocols.sasa_scores.sasapack")
 
std::istream & protocols::sasa_scores::operator>> (std::istream &is, Poly &p)
 
std::istream & protocols::sasa_scores::operator>> (std::istream &is, PPoly &pp)
 
void protocols::sasa_scores::help_load_data (utility::vector1< PPoly > &polys, Reals &avg_sasa14s, std::string const &datafile, std::string const &tag1, std::string const &tag2, std::string const &function_name)
 helper function to open a file and respond to appropriate flags More...
 
void protocols::sasa_scores::load_sasapack_polynomial_coefficients (vector1< PPoly > &polys, Reals &avg_sasa14s)
 
void protocols::sasa_scores::load_avge_polynomial_coefficients (vector1< PPoly > &polys, Reals &avg_sasa14s)
 
void protocols::sasa_scores::help_load_data (vector1< PPoly > &polys, Reals &avg_sasa14s, string const &datafile, string const &tag1, string const &tag2, string const &function_name)
 helper function to open a file and respond to appropriate flags More...
 
void protocols::sasa_scores::compute_residue_sasas_for_sasa_scores (Real const probe_radius, Pose const &pose, Reals &rsd_sasa)
 NOTE: this does not include the probe radius in the sasa value, hence somewhat specialized for sasapack. More...
 
void protocols::sasa_scores::compute_avge_scores (Pose const &pose_in, Reals &residue_avge, Reals &residue_normsasa, Real &average_avge, Real &average_normsasa)
 
void protocols::sasa_scores::compute_sasapack_scores (Pose const &pose, Reals &residue_sasapack, Reals &residue_normsasa, Real &average_sasapack, Real &average_normsasa)
 

Function Documentation

static basic::Tracer TR ( "protocols.sasa_scores.sasapack"  )
static