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Public Member Functions | Private Attributes | List of all members
core::scoring::rna::RNA_Mg_KnowledgeBasedPotential Class Reference

#include <RNA_Mg_KnowledgeBasedPotential.hh>

Inheritance diagram for core::scoring::rna::RNA_Mg_KnowledgeBasedPotential:
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Collaboration diagram for core::scoring::rna::RNA_Mg_KnowledgeBasedPotential:
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Public Member Functions

 RNA_Mg_KnowledgeBasedPotential ()
 ctor, reads data file More...
 
Gaussian_parameter get_mg_potential_gaussian_parameter (core::conformation::Residue const &rsd, Size const j, bool &is_phosphate_oxygen) const
 
Gaussian_parameter get_mg_potential_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 
Gaussian_parameter 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
 
Gaussian_parameter get_mg_potential_costheta_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 
Gaussian_parameter get_mg_potential_costheta_indirect_gaussian_parameter (core::conformation::Residue const &rsd, Size const j) const
 

Private Attributes

Gaussian_parameter const gaussian_parameter_phosphate_oxygen_
 
Gaussian_parameter const gaussian_parameter_imine_
 
Gaussian_parameter const gaussian_parameter_exocyclic_oxygen_
 
Gaussian_parameter const gaussian_parameter_o2star_
 
Gaussian_parameter const gaussian_parameter_phosphate_p_
 
Gaussian_parameter const gaussian_parameter_polar_H_
 
Gaussian_parameter const gaussian_parameter_nonpolar_H_
 
Gaussian_parameter const gaussian_parameter_phosphate_oxygen_indirect_
 
Gaussian_parameter const gaussian_parameter_imine_indirect_
 
Gaussian_parameter const gaussian_parameter_exocyclic_oxygen_indirect_
 
Gaussian_parameter const gaussian_parameter_o2star_indirect_
 
Gaussian_parameter const gaussian_parameter_costheta_phosphate_oxygen_
 
Gaussian_parameter const gaussian_parameter_costheta_imine_
 
Gaussian_parameter const gaussian_parameter_costheta_exocyclic_oxygen_
 
Gaussian_parameter const gaussian_parameter_costheta_o2star_
 
Gaussian_parameter const gaussian_parameter_costheta_polar_H_
 
Gaussian_parameter const gaussian_parameter_costheta_nonpolar_H_
 
Gaussian_parameter const gaussian_parameter_costheta_phosphate_oxygen_indirect_
 
Gaussian_parameter const gaussian_parameter_costheta_imine_indirect_
 
Gaussian_parameter const gaussian_parameter_costheta_exocyclic_oxygen_indirect_
 
Gaussian_parameter const gaussian_parameter_costheta_o2star_indirect_
 

Constructor & Destructor Documentation

core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::RNA_Mg_KnowledgeBasedPotential ( )

ctor, reads data file

ctor

Member Function Documentation

Gaussian_parameter core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::get_mg_potential_costheta_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
Gaussian_parameter core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::get_mg_potential_costheta_indirect_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
Gaussian_parameter core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::get_mg_potential_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j,
bool is_phosphate_oxygen 
) const
Gaussian_parameter core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::get_mg_potential_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
Gaussian_parameter core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::get_mg_potential_indirect_gaussian_parameter ( core::conformation::Residue const &  rsd,
Size const  j 
) const
void core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::setup_info_for_mg_calculation ( core::pose::Pose pose) const

Member Data Documentation

Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_exocyclic_oxygen_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_exocyclic_oxygen_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_imine_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_imine_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_nonpolar_H_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_o2star_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_o2star_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_phosphate_oxygen_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_phosphate_oxygen_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_costheta_polar_H_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_exocyclic_oxygen_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_exocyclic_oxygen_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_imine_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_imine_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_nonpolar_H_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_o2star_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_o2star_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_phosphate_oxygen_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_phosphate_oxygen_indirect_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_phosphate_p_
private
Gaussian_parameter const core::scoring::rna::RNA_Mg_KnowledgeBasedPotential::gaussian_parameter_polar_H_
private

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