core::chemical::rna::RNA_FittedTorsionInfo Class Reference

#include <RNA_FittedTorsionInfo.hh>

Public Types
typedef utility::vector1 < GaussianParameter >	GaussianParameterSet

Public Member Functions
	RNA_FittedTorsionInfo ()
virtual	~RNA_FittedTorsionInfo ()
GaussianParameterSet	gaussian_parameter_set_alpha () const
GaussianParameterSet	gaussian_parameter_set_beta () const
GaussianParameterSet	gaussian_parameter_set_gamma () const
GaussianParameterSet	gaussian_parameter_set_delta_north () const
GaussianParameterSet	gaussian_parameter_set_delta_south () const
GaussianParameterSet	gaussian_parameter_set_epsilon_north () const
GaussianParameterSet	gaussian_parameter_set_epsilon_south () const
GaussianParameterSet	gaussian_parameter_set_zeta_alpha_sc_minus () const
GaussianParameterSet	gaussian_parameter_set_zeta_alpha_sc_plus () const
GaussianParameterSet	gaussian_parameter_set_zeta_alpha_ap () const
GaussianParameterSet	gaussian_parameter_set_chi_north () const
GaussianParameterSet	gaussian_parameter_set_chi_south () const
GaussianParameterSet	gaussian_parameter_set_nu2_north () const
GaussianParameterSet	gaussian_parameter_set_nu2_south () const
GaussianParameterSet	gaussian_parameter_set_nu1_north () const
GaussianParameterSet	gaussian_parameter_set_nu1_south () const
Real	delta_north () const
Real	nu2_north () const
Real	nu1_north () const
Real	delta_south () const
Real	nu2_south () const
Real	nu1_south () const
Real	alpha_aform () const
Real	beta_aform () const
Real	gamma_aform () const
Real	epsilon_aform () const
Real	zeta_aform () const
Real	epsilon_north () const
Real	epsilon_south () const
Real	chi_north_anti () const
Real	chi_north_syn () const
Real	chi_south_anti () const
Real	chi_south_syn () const
Real	delta_cutoff () const

Private Member Functions
void	init_rna_torsion_gaussian_parameters ()

Private Attributes
bool	rna_tight_torsions_
GaussianParameterSet	gaussian_parameter_set_alpha_
GaussianParameterSet	gaussian_parameter_set_beta_
GaussianParameterSet	gaussian_parameter_set_gamma_
GaussianParameterSet	gaussian_parameter_set_delta_north_
GaussianParameterSet	gaussian_parameter_set_delta_south_
GaussianParameterSet	gaussian_parameter_set_epsilon_north_
GaussianParameterSet	gaussian_parameter_set_epsilon_south_
GaussianParameterSet	gaussian_parameter_set_zeta_alpha_sc_minus_
GaussianParameterSet	gaussian_parameter_set_zeta_alpha_sc_plus_
GaussianParameterSet	gaussian_parameter_set_zeta_alpha_ap_
GaussianParameterSet	gaussian_parameter_set_chi_north_
GaussianParameterSet	gaussian_parameter_set_chi_south_
GaussianParameterSet	gaussian_parameter_set_nu2_north_
GaussianParameterSet	gaussian_parameter_set_nu2_south_
GaussianParameterSet	gaussian_parameter_set_nu1_north_
GaussianParameterSet	gaussian_parameter_set_nu1_south_
Real const	ideal_delta_north_
Real const	ideal_nu2_north_
Real const	ideal_nu1_north_
Real const	ideal_delta_south_
Real const	ideal_nu2_south_
Real const	ideal_nu1_south_
Real const	delta_cutoff_

Member Typedef Documentation

typedef utility::vector1< GaussianParameter > core::chemical::rna::RNA_FittedTorsionInfo::GaussianParameterSet

Constructor & Destructor Documentation

core::chemical::rna::RNA_FittedTorsionInfo::RNA_FittedTorsionInfo

(

)

References init_rna_torsion_gaussian_parameters().

core::chemical::rna::RNA_FittedTorsionInfo::~RNA_FittedTorsionInfo ( )

virtual

Member Function Documentation

Real core::chemical::rna::RNA_FittedTorsionInfo::alpha_aform ( ) const

inline

References gaussian_parameter_set_alpha_.

Referenced by core::scoring::rna::RNA_TorsionPotential::eval_atom_derivative(), and core::scoring::rna::RNA_TorsionPotential::eval_intrares_energy().

Real core::chemical::rna::RNA_FittedTorsionInfo::beta_aform ( ) const

inline

References gaussian_parameter_set_beta_.

Real core::chemical::rna::RNA_FittedTorsionInfo::chi_north_anti ( ) const

inline

References gaussian_parameter_set_chi_north_.

Real core::chemical::rna::RNA_FittedTorsionInfo::chi_north_syn ( ) const

inline

References gaussian_parameter_set_chi_north_.

Real core::chemical::rna::RNA_FittedTorsionInfo::chi_south_anti ( ) const

inline

References gaussian_parameter_set_chi_south_.

Real core::chemical::rna::RNA_FittedTorsionInfo::chi_south_syn ( ) const

inline

References gaussian_parameter_set_chi_south_.

Real core::chemical::rna::RNA_FittedTorsionInfo::delta_cutoff ( ) const

inline

References delta_cutoff_.

Referenced by core::scoring::rna::RNA_SugarCloseEnergy::add_sugar_ring_closure_constraints(), core::pose::rna::assign_pucker(), core::chemical::rna::get_epsilon_torsions(), core::pose::rna::RNA_IdealCoord::init(), and core::scoring::rna::RNA_TorsionPotential::init_fade_functions().

Real core::chemical::rna::RNA_FittedTorsionInfo::delta_north ( ) const

inline

References ideal_delta_north_.

Referenced by core::pose::rna::apply_pucker().

Real core::chemical::rna::RNA_FittedTorsionInfo::delta_south ( ) const

inline

References ideal_delta_south_.

Referenced by core::pose::rna::apply_pucker().

Real core::chemical::rna::RNA_FittedTorsionInfo::epsilon_aform ( ) const

inline

References gaussian_parameter_set_epsilon_north_.

Real core::chemical::rna::RNA_FittedTorsionInfo::epsilon_north ( ) const

inline

References gaussian_parameter_set_epsilon_north_.

Real core::chemical::rna::RNA_FittedTorsionInfo::epsilon_south ( ) const

inline

References gaussian_parameter_set_epsilon_south_.

Real core::chemical::rna::RNA_FittedTorsionInfo::gamma_aform ( ) const

inline

References gaussian_parameter_set_gamma_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_alpha ( ) const

inline

References gaussian_parameter_set_alpha_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_beta ( ) const

inline

References gaussian_parameter_set_beta_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_chi_north ( ) const

inline

References gaussian_parameter_set_chi_north_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_chi_south ( ) const

inline

References gaussian_parameter_set_chi_south_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_delta_north ( ) const

inline

References gaussian_parameter_set_delta_north_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_delta_south ( ) const

inline

References gaussian_parameter_set_delta_south_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_epsilon_north ( ) const

inline

References gaussian_parameter_set_epsilon_north_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_epsilon_south ( ) const

inline

References gaussian_parameter_set_epsilon_south_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_gamma ( ) const

inline

References gaussian_parameter_set_gamma_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu1_north ( ) const

inline

References gaussian_parameter_set_nu1_north_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu1_south ( ) const

inline

References gaussian_parameter_set_nu1_south_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu2_north ( ) const

inline

References gaussian_parameter_set_nu2_north_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu2_south ( ) const

inline

References gaussian_parameter_set_nu2_south_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_zeta_alpha_ap ( ) const

inline

References gaussian_parameter_set_zeta_alpha_ap_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_zeta_alpha_sc_minus ( ) const

inline

References gaussian_parameter_set_zeta_alpha_sc_minus_.

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_zeta_alpha_sc_plus ( ) const

inline

References gaussian_parameter_set_zeta_alpha_sc_plus_.

void core::chemical::rna::RNA_FittedTorsionInfo::init_rna_torsion_gaussian_parameters ( )

private

References gaussian_parameter_set_alpha_, gaussian_parameter_set_beta_, gaussian_parameter_set_chi_north_, gaussian_parameter_set_chi_south_, gaussian_parameter_set_delta_north_, gaussian_parameter_set_delta_south_, gaussian_parameter_set_epsilon_north_, gaussian_parameter_set_epsilon_south_, gaussian_parameter_set_gamma_, gaussian_parameter_set_nu1_north_, gaussian_parameter_set_nu1_south_, gaussian_parameter_set_nu2_north_, gaussian_parameter_set_nu2_south_, gaussian_parameter_set_zeta_alpha_ap_, gaussian_parameter_set_zeta_alpha_sc_minus_, gaussian_parameter_set_zeta_alpha_sc_plus_, and rna_tight_torsions_.

Referenced by RNA_FittedTorsionInfo().

Real core::chemical::rna::RNA_FittedTorsionInfo::nu1_north ( ) const

inline

References ideal_nu1_north_.

Referenced by core::pose::rna::apply_pucker().

Real core::chemical::rna::RNA_FittedTorsionInfo::nu1_south ( ) const

inline

References ideal_nu1_south_.

Referenced by core::pose::rna::apply_pucker().

Real core::chemical::rna::RNA_FittedTorsionInfo::nu2_north ( ) const

inline

References ideal_nu2_north_.

Referenced by core::pose::rna::apply_pucker().

Real core::chemical::rna::RNA_FittedTorsionInfo::nu2_south ( ) const

inline

References ideal_nu2_south_.

Referenced by core::pose::rna::apply_pucker().

Real core::chemical::rna::RNA_FittedTorsionInfo::zeta_aform ( ) const

inline

References gaussian_parameter_set_zeta_alpha_sc_minus_.

Member Data Documentation

Real const core::chemical::rna::RNA_FittedTorsionInfo::delta_cutoff_

private

Referenced by delta_cutoff().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_alpha_

private

Referenced by alpha_aform(), gaussian_parameter_set_alpha(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_beta_

private

Referenced by beta_aform(), gaussian_parameter_set_beta(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_chi_north_

private

Referenced by chi_north_anti(), chi_north_syn(), gaussian_parameter_set_chi_north(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_chi_south_

private

Referenced by chi_south_anti(), chi_south_syn(), gaussian_parameter_set_chi_south(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_delta_north_

private

Referenced by gaussian_parameter_set_delta_north(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_delta_south_

private

Referenced by gaussian_parameter_set_delta_south(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_epsilon_north_

private

Referenced by epsilon_aform(), epsilon_north(), gaussian_parameter_set_epsilon_north(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_epsilon_south_

private

Referenced by epsilon_south(), gaussian_parameter_set_epsilon_south(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_gamma_

private

Referenced by gamma_aform(), gaussian_parameter_set_gamma(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu1_north_

private

Referenced by gaussian_parameter_set_nu1_north(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu1_south_

private

Referenced by gaussian_parameter_set_nu1_south(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu2_north_

private

Referenced by gaussian_parameter_set_nu2_north(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_nu2_south_

private

Referenced by gaussian_parameter_set_nu2_south(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_zeta_alpha_ap_

private

Referenced by gaussian_parameter_set_zeta_alpha_ap(), and init_rna_torsion_gaussian_parameters().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_zeta_alpha_sc_minus_

private

Referenced by gaussian_parameter_set_zeta_alpha_sc_minus(), init_rna_torsion_gaussian_parameters(), and zeta_aform().

GaussianParameterSet core::chemical::rna::RNA_FittedTorsionInfo::gaussian_parameter_set_zeta_alpha_sc_plus_

private

Referenced by gaussian_parameter_set_zeta_alpha_sc_plus(), and init_rna_torsion_gaussian_parameters().

Real const core::chemical::rna::RNA_FittedTorsionInfo::ideal_delta_north_

private

Referenced by delta_north().

Real const core::chemical::rna::RNA_FittedTorsionInfo::ideal_delta_south_

private

Referenced by delta_south().

Real const core::chemical::rna::RNA_FittedTorsionInfo::ideal_nu1_north_

private

Referenced by nu1_north().

Real const core::chemical::rna::RNA_FittedTorsionInfo::ideal_nu1_south_

private

Referenced by nu1_south().

Real const core::chemical::rna::RNA_FittedTorsionInfo::ideal_nu2_north_

private

Referenced by nu2_north().

Real const core::chemical::rna::RNA_FittedTorsionInfo::ideal_nu2_south_

private

Referenced by nu2_south().

bool core::chemical::rna::RNA_FittedTorsionInfo::rna_tight_torsions_

private

Referenced by init_rna_torsion_gaussian_parameters().

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

• src/core/chemical/rna/RNA_FittedTorsionInfo.hh
• src/core/chemical/rna/RNA_FittedTorsionInfo.cc