Rosetta Core  2014.35
Classes | Namespaces | Functions
compute_holes_score.hh File Reference

Packing Score. More...

#include <core/scoring/packing/HolesParams.hh>
#include <core/scoring/packing/PoseBalls.hh>
#include <iomanip>
#include <iostream>
#include <numeric/numeric.functions.hh>
#include <numeric/xyzMatrix.hh>
#include <numeric/xyzVector.hh>
#include <utility/exit.hh>
#include <core/kinematics/Jump.hh>
#include <utility/vector1.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