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.fwd.hh>
#include <core/pose/init_id_map.hh>
#include <core/scoring/packing/compute_holes_score.hh>
#include <core/scoring/packing/PoseBalls.hh>
#include <basic/database/open.hh>
#include <iostream>
#include <numeric/xyzVector.hh>
#include <utility/exit.hh>
#include <basic/Tracer.hh>
#include <utility/io/ozstream.hh>
#include <utility/numbers.hh>
#include <pstream.h>

Namespaces
	core
	A class for reading in the atom type properties.
	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

TR()

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

static