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Public Member Functions | Private Attributes | List of all members
core::scoring::magnesium::MgKnowledgeBasedPotential Class Reference

#include <MgKnowledgeBasedPotential.hh>

Inheritance diagram for core::scoring::magnesium::MgKnowledgeBasedPotential:
Inheritance graph
[legend]

Public Member Functions

 MgKnowledgeBasedPotential ()
 ctor, reads data file More...
 
core::chemical::rna::GaussianParameter get_mg_potential_gaussian_parameter (core::conformation::Residue const &rsd, Size const j, bool &is_phosphate_oxygen) const
 
core::chemical::rna::GaussianParameter get_mg_potential_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 
core::chemical::rna::GaussianParameter get_mg_potential_indirect_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 
void setup_info_for_mg_calculation (core::pose::Pose &pose) const
 
core::chemical::rna::GaussianParameter get_mg_potential_costheta_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 
core::chemical::rna::GaussianParameter get_mg_potential_costheta_indirect_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 
core::Real v_angle_width () const
 

Private Attributes

core::chemical::rna::GaussianParameter
const 
gaussian_parameter_phosphate_oxygen_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_imine_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_exocyclic_oxygen_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_o2prime_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_water_oxygen_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_phosphate_p_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_polar_H_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_nonpolar_H_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_phosphate_oxygen_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_imine_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_exocyclic_oxygen_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_o2prime_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_phosphate_oxygen_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_imine_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_exocyclic_oxygen_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_o2prime_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_water_oxygen_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_polar_H_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_nonpolar_H_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_phosphate_oxygen_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_imine_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_exocyclic_oxygen_indirect_
 
core::chemical::rna::GaussianParameter
const 
gaussian_parameter_costheta_o2prime_indirect_
 
Real const v_angle_width_
 

Constructor & Destructor Documentation

core::scoring::magnesium::MgKnowledgeBasedPotential::MgKnowledgeBasedPotential ( )

ctor, reads data file

ctor

Member Function Documentation

core::chemical::rna::GaussianParameter core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_costheta_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
core::chemical::rna::GaussianParameter core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_costheta_indirect_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
core::chemical::rna::GaussianParameter core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j,
bool is_phosphate_oxygen 
) const
core::chemical::rna::GaussianParameter core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
core::chemical::rna::GaussianParameter core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_indirect_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
void core::scoring::magnesium::MgKnowledgeBasedPotential::setup_info_for_mg_calculation ( core::pose::Pose pose) const
core::Real core::scoring::magnesium::MgKnowledgeBasedPotential::v_angle_width ( ) const
inline

References v_angle_width_.

Member Data Documentation

core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_exocyclic_oxygen_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_exocyclic_oxygen_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_imine_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_imine_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_nonpolar_H_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_o2prime_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_o2prime_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_phosphate_oxygen_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_phosphate_oxygen_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_polar_H_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_costheta_water_oxygen_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_exocyclic_oxygen_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_exocyclic_oxygen_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_imine_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_imine_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_nonpolar_H_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_o2prime_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_o2prime_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_phosphate_oxygen_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_phosphate_oxygen_indirect_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_phosphate_p_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_polar_H_
private
core::chemical::rna::GaussianParameter const core::scoring::magnesium::MgKnowledgeBasedPotential::gaussian_parameter_water_oxygen_
private
Real const core::scoring::magnesium::MgKnowledgeBasedPotential::v_angle_width_
private

Referenced by v_angle_width().


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