sasapack.cc File Reference

Some simple examples of how to use basic functionality + some DNA functionality. More...

#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/scoring/symmetry/SymmetricScoreFunction.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
typedef utility::vector1< Real >	protocols::sasa_scores::Reals

Functions
static thread_local 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::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::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)

Detailed Description

Some simple examples of how to use basic functionality + some DNA functionality.

Author

Phil Bradley (pbrad.nosp@m.ley@.nosp@m.fhcrc.nosp@m..org)

Function Documentation

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

static