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compute_holes_score.cc File Reference

Packing Score. More...

#include <basic/options/keys/holes.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/scoring/packing/compute_holes_score.hh>
#include <core/scoring/packing/PoseBalls.hh>
#include <basic/database/open.hh>
#include <iomanip>
#include <iostream>
#include <numeric/numeric.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/xyzVector.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <basic/Tracer.hh>
#include <pstream.h>
#include <core/pose/util.tmpl.hh>
#include <boost/math/special_functions/fpclassify.hpp>

Namespaces

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::packing
 

Constant Groups

 core
 A class for defining atom parameters, known as atom_types.
 
 core::scoring
 
 core::scoring::packing
 

Functions

static basic::Tracer TR ("core.scoring.packing.compute_holes_score")
 
void core::scoring::packing::compute_holes_surfs (PoseBalls &pb, std::string)
 
HolesResult core::scoring::packing::compute_rosettaholes_score (pose::Pose const &pose, PoseBalls &pb, HolesParams const &resl_params, HolesParams const &dec_params, HolesParams const &dec15_params, bool use_cached_surfs, std::string cmd)
 
Real core::scoring::packing::compute_dec15_score (pose::Pose const &pose)
 
HolesResult core::scoring::packing::compute_holes_score (pose::Pose const &pose, PoseBalls &pb, HolesParams const &params, bool use_cached_surfs, std::string cmd)
 
core::Real core::scoring::packing::sqr (core::Real x)
 
core::Real core::scoring::packing::sigmoidish_neighbor (core::Real sqdist)
 
core::Real core::scoring::packing::sigmoidish_neighbor_deriv (core::Real sqdist)
 
core::Real core::scoring::packing::compute_smooth_nb_deriv (PoseBalls &pb, HolesParams const &params, core::id::AtomID_Map< numeric::xyzVector< core::Real > > &deriv)
 
HolesResult core::scoring::packing::compute_holes_deriv (pose::Pose const &, PoseBalls &pb, HolesParams const &params, core::id::AtomID_Map< numeric::xyzVector< core::Real > > &deriv)
 
HolesResult core::scoring::packing::compute_rosettaholes_score (pose::Pose const &pose, PoseBalls &pb)
 
HolesResult core::scoring::packing::compute_holes_deriv (pose::Pose const &pose, HolesParams const &params, core::id::AtomID_Map< numeric::xyzVector< core::Real > > &deriv)
 computes the cartesian space derivative WRT the given params More...
 
HolesResult core::scoring::packing::compute_rosettaholes_score (pose::Pose const &pose, HolesParams const &resl_params, HolesParams const &dec_params, HolesParams const &dec15_params)
 
HolesResult core::scoring::packing::compute_rosettaholes_score (pose::Pose const &pose)
 for the standard scores More...
 
HolesResult core::scoring::packing::compute_holes_score (pose::Pose const &pose, HolesParams const &params)
 
HolesResult core::scoring::packing::compute_holes_score (pose::Pose const &pose, std::string const &cmd)
 

Detailed Description

Packing Score.

Author
Will Sheffler

Function Documentation

static basic::Tracer TR ( "core.scoring.packing.compute_holes_score"  )
static