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Classes | Typedefs | Functions
core::scoring::magnesium Namespace Reference

Classes

class  MgKnowledgeBasedPotential
 

Typedefs

typedef utility::pointer::shared_ptr< MgKnowledgeBasedPotentialMgKnowledgeBasedPotentialOP
 
typedef utility::pointer::shared_ptr< MgKnowledgeBasedPotential const > MgKnowledgeBasedPotentialCOP
 

Functions

Real get_cos_theta (core::conformation::Residue const &rsd1, Size const i, Vector const &j_xyz, Size const i_base)
 
Real get_cos_theta (core::conformation::Residue const &rsd1, Size const i, Vector const &j_xyz, Size &i_base, Vector &xyz_base)
 
Real get_gaussian_potential_score (GaussianParameter const &mg_potential_gaussian_parameter, Vector const &pos1, Vector const &pos2)
 
Real get_gaussian_score (GaussianParameter const &mg_potential_gaussian_parameter, Real const &d)
 
Real get_gaussian_deriv (GaussianParameter const &mg_potential_gaussian_parameter, Real const &d)
 
void get_closest_orbital_axis (core::conformation::Residue const &mg_rsd, Vector const &j_xyz, Size &which_orbital_atom, Real &cos_angle)
 
Real get_cos_angle_to_closest_orbital_axis (core::conformation::Residue const &mg_rsd, Vector const &j_xyz)
 
Size get_closest_orbital_axis (core::conformation::Residue const &mg_rsd, Vector const &j_xyz)
 

Typedef Documentation

◆ MgKnowledgeBasedPotentialCOP

◆ MgKnowledgeBasedPotentialOP

Function Documentation

◆ get_closest_orbital_axis() [1/2]

Size core::scoring::magnesium::get_closest_orbital_axis ( core::conformation::Residue const &  mg_rsd,
Vector const &  j_xyz 
)

◆ get_closest_orbital_axis() [2/2]

void core::scoring::magnesium::get_closest_orbital_axis ( core::conformation::Residue const &  mg_rsd,
Vector const &  j_xyz,
Size which_orbital_atom,
Real cos_angle 
)

◆ get_cos_angle_to_closest_orbital_axis()

Real core::scoring::magnesium::get_cos_angle_to_closest_orbital_axis ( core::conformation::Residue const &  mg_rsd,
Vector const &  j_xyz 
)

◆ get_cos_theta() [1/2]

Real core::scoring::magnesium::get_cos_theta ( core::conformation::Residue const &  rsd1,
Size const  i,
Vector const &  j_xyz,
Size i_base,
Vector xyz_base 
)

◆ get_cos_theta() [2/2]

Real core::scoring::magnesium::get_cos_theta ( core::conformation::Residue const &  rsd1,
Size const  i,
Vector const &  j_xyz,
Size const  i_base 
)

◆ get_gaussian_deriv()

Real core::scoring::magnesium::get_gaussian_deriv ( GaussianParameter const &  mg_potential_gaussian_parameter,
Real const &  d 
)

◆ get_gaussian_potential_score()

Real core::scoring::magnesium::get_gaussian_potential_score ( GaussianParameter const &  mg_potential_gaussian_parameter,
Vector const &  pos1,
Vector const &  pos2 
)

◆ get_gaussian_score()

Real core::scoring::magnesium::get_gaussian_score ( GaussianParameter const &  mg_potential_gaussian_parameter,
Real const &  d 
)