compute_holes_score.hh File Reference

Packing Score. More...

#include <core/scoring/packing/HolesParams.hh>
#include <core/scoring/packing/PoseBalls.fwd.hh>
#include <numeric/xyzVector.fwd.hh>
#include <core/id/AtomID_Map.hh>
#include <core/pose/Pose.fwd.hh>

Classes
class	core::scoring::packing::HolesResult
	the result class holding the three scores and the per-atom scores More...

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

Functions
HolesResult	core::scoring::packing::compute_rosettaholes_score (pose::Pose const &pose)
	for the standard scores More...
Real	core::scoring::packing::compute_dec15_score (pose::Pose const &pose)
HolesResult	core::scoring::packing::compute_holes_score (pose::Pose const &pose, HolesParams const &params)
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_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, HolesParams const &resl_params, HolesParams const &dec_params, HolesParams const &dec15_params, bool use_cached_surfs, std::string cmd)
HolesResult	core::scoring::packing::compute_rosettaholes_score (pose::Pose const &pose, PoseBalls &pb)
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_holes_score (pose::Pose const &pose, PoseBalls &pb, HolesParams const &params, bool use_cached_surfs, std::string cmd)
HolesResult	core::scoring::packing::compute_holes_score (pose::Pose const &pose, std::string const &cmd)

Detailed Description

Packing Score.

Author

Will Sheffler