Rosetta 3.4
Namespaces | Functions
src/core/scoring/hbonds/hbonds.hh File Reference
#include <core/scoring/hbonds/types.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/scoring/EnergyMap.fwd.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/hbonds/HBEvalTuple.hh>
#include <core/scoring/hbonds/HBondDatabase.fwd.hh>
#include <core/scoring/hbonds/HBondOptions.fwd.hh>
#include <core/scoring/hbonds/HBondSet.fwd.hh>
#include <utility/vector1.hh>

Namespaces

namespace  core
 

A class for defining atom parameters, known as atom_types.


namespace  core::scoring
namespace  core::scoring::hbonds

Functions

void core::scoring::hbonds::fill_intra_res_hbond_set (pose::Pose const &pose, bool const calculate_derivative, HBondSet &hbond_set)
void core::scoring::hbonds::fill_hbond_set (pose::Pose const &pose, bool const calculate_derivative, HBondSet &hbond_set, bool const exclude_bb, bool const exclude_bsc, bool const exclude_scb, bool const exclude_sc)
void core::scoring::hbonds::fill_hbond_set_by_AHdist_threshold (core::pose::Pose const &pose, Real const AHdist_threshold, HBondSet &hbond_set)
void core::scoring::hbonds::get_hbond_energies (HBondSet const &hbond_set, EnergyMap &emap)
void core::scoring::hbonds::identify_hbonds_1way (HBondDatabase const &database, conformation::Residue const &don_rsd, conformation::Residue const &acc_rsd, Size const don_nb, Size const acc_nb, bool const evaluate_derivative, bool const exclude_bb, bool const exclude_bsc, bool const exclude_scb, bool const exclude_sc, HBondSet &hbond_set)
 Get the f1 and f2 contributions from all hbonds involving this atom.
void core::scoring::hbonds::identify_hbonds_1way (HBondDatabase const &database, conformation::Residue const &don_rsd, conformation::Residue const &acc_rsd, Size const don_nb, Size const acc_nb, bool const evaluate_derivative, bool const exclude_bb, bool const exclude_bsc, bool const exclude_scb, bool const exclude_sc, HBondOptions const &options, EnergyMap &emap)
void core::scoring::hbonds::identify_intra_res_hbonds (HBondDatabase const &database, conformation::Residue const &rsd, bool const evaluate_derivative, HBondSet &hbond_set)
void core::scoring::hbonds::identify_intra_res_hbonds (HBondDatabase const &database, conformation::Residue const &rsd, bool const evaluate_derivative, HBondOptions const &options, EnergyMap &emap)
Real core::scoring::hbonds::get_environment_dependent_weight (HBEvalTuple const &hbe_type, int const don_nb, int const acc_nb, HBondOptions const &options)
void core::scoring::hbonds::identify_hbonds_1way_membrane (HBondDatabase const &database, conformation::Residue const &don_rsd, conformation::Residue const &acc_rsd, Size const don_nb, Size const acc_nb, bool const evaluate_derivative, bool const exclude_bb, bool const exclude_bsc, bool const exclude_scb, bool const exclude_sc, HBondSet &hbond_set, pose::Pose const &pose)
void core::scoring::hbonds::identify_hbonds_1way_membrane (HBondDatabase const &database, conformation::Residue const &don_rsd, conformation::Residue const &acc_rsd, Size const don_nb, Size const acc_nb, bool const evaluate_derivative, bool const exclude_bb, bool const exclude_bsc, bool const exclude_scb, bool const exclude_sc, HBondOptions const &options, EnergyMap &emap, pose::Pose const &pose)
Real core::scoring::hbonds::get_membrane_depth_dependent_weight (pose::Pose const &pose, int const don_nb, int const acc_nb, Vector const &Hxyz, Vector const &Axyz)
Real core::scoring::hbonds::get_membrane_depth_dependent_weight (Vector const &normal, Vector const &center, Real const &thickness, Real const &steepness, int const don_nb, int const acc_nb, Vector const &Hxyz, Vector const &Axyz)
Real core::scoring::hbonds::hb_eval_type_weight (HBEvalType const &hbe_type, EnergyMap const &emap, bool const intra_res)
bool core::scoring::hbonds::nonzero_hbond_weight (ScoreFunction const &scorefxn)

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