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Public Member Functions | Private Member Functions | Private Attributes | List of all members
core::scoring::dna::DNA_DihedralPotential Class Reference

#include <DNA_DihedralPotential.hh>

Public Member Functions

 DNA_DihedralPotential (std::string const &filename)
 
 DNA_DihedralPotential ()
 
void eval_harmonic_backbone_torsion_score_and_deriv (Size const tor, conformation::Residue const &rsd, pose::Pose const &pose, Real &score, Real &dscore_dtor) const
 
void eval_harmonic_sugar_pucker_dependent_chi_torsion_score_and_deriv (conformation::Residue const &rsd, pose::Pose const &pose, Size const pucker, Real &score, Real &dscore_dchi) const
 
Real get_mean_sugar_pucker_dependent_chi (conformation::Residue const &rsd) const
 
void eval_sugar_torsion_score_and_deriv (Real const torsion, Size const tor, conformation::Residue const &rsd, Size const pucker, Real &score, Real &dscore_dtor) const
 
void get_sugar_torsion_mean_and_sdev (Size const tor, conformation::Residue const &rsd, Size const pucker, Real &mean, Real &sdev) const
 

Private Member Functions

bool skip_torsion (conformation::Residue const &rsd, Size const tor) const
 
void read_dna_geometry_log_file (std::string const &filename)
 
void read_dna_geometry_log_file_from_database (std::string const &database_file)
 
void parse_dna_geometry_log (std::istream &data)
 should only do this once More...
 

Private Attributes

utility::vector1
< utility::vector1< Real > > 
mean_backbone_torsion_
 
utility::vector1
< utility::vector0
< utility::vector1< Real > > > 
mean_sugar_torsion_
 

Constructor & Destructor Documentation

core::scoring::dna::DNA_DihedralPotential::DNA_DihedralPotential ( std::string const &  filename)
core::scoring::dna::DNA_DihedralPotential::DNA_DihedralPotential ( )

Member Function Documentation

void core::scoring::dna::DNA_DihedralPotential::eval_harmonic_backbone_torsion_score_and_deriv ( Size const  tor,
conformation::Residue const &  rsd,
pose::Pose const &  pose,
Real score,
Real dscore_dtor 
) const
void core::scoring::dna::DNA_DihedralPotential::eval_harmonic_sugar_pucker_dependent_chi_torsion_score_and_deriv ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
Size const  pucker,
Real score,
Real dscore_dchi 
) const
void core::scoring::dna::DNA_DihedralPotential::eval_sugar_torsion_score_and_deriv ( Real const  torsion,
Size const  tor,
conformation::Residue const &  rsd,
Size const  pucker,
Real score,
Real dscore_dtor 
) const
Real core::scoring::dna::DNA_DihedralPotential::get_mean_sugar_pucker_dependent_chi ( conformation::Residue const &  rsd) const
void core::scoring::dna::DNA_DihedralPotential::get_sugar_torsion_mean_and_sdev ( Size const  tor,
conformation::Residue const &  rsd,
Size const  pucker,
Real mean,
Real sdev 
) const
void core::scoring::dna::DNA_DihedralPotential::parse_dna_geometry_log ( std::istream &  data)
private
void core::scoring::dna::DNA_DihedralPotential::read_dna_geometry_log_file ( std::string const &  filename)
private
void core::scoring::dna::DNA_DihedralPotential::read_dna_geometry_log_file_from_database ( std::string const &  database_file)
private
bool core::scoring::dna::DNA_DihedralPotential::skip_torsion ( conformation::Residue const &  rsd,
Size const  tor 
) const
private

Member Data Documentation

utility::vector1< utility::vector1< Real > > core::scoring::dna::DNA_DihedralPotential::mean_backbone_torsion_
private
utility::vector1< utility::vector0< utility::vector1< Real > > > core::scoring::dna::DNA_DihedralPotential::mean_sugar_torsion_
private

The documentation for this class was generated from the following files: