Rosetta 3.4
Public Types | Public Member Functions
core::scoring::Ramachandran2B Class Reference

#include <Ramachandran2B.hh>

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List of all members.

Public Types

typedef pose::Pose Pose
typedef chemical::AA AA

Public Member Functions

 Ramachandran2B ()
 ~Ramachandran2B ()
Real eval_rama_score_residue (AA const res_aa, Real const phi, Real const psi) const
void eval_rama_score_residue (conformation::Residue const &res, chemical::AA const left_aa, chemical::AA const right_aa, Real &rama, Real &drama_dphi, Real &drama_dpsi) const
Real RamaE_Lower (conformation::Residue const &rsd, chemical::AA const &neighbor, Real &drama_dphi, Real &drama_dpsi) const
Real RamaE_Lower (conformation::Residue const &rsd, chemical::AA const &neighbor) const
Real RamaE_Upper (conformation::Residue const &rsd, chemical::AA const &neighbor, Real &drama_dphi, Real &drama_dpsi) const
Real RamaE_Upper (conformation::Residue const &rsd, chemical::AA const &neighbor) const
Real RamaE (conformation::Residue const &rsd, Real &drama_dphi, Real &drama_dpsi) const
Real RamaE (conformation::Residue const &rsd) const
void eval_rama_score_residue (conformation::Residue const &res, Real &rama, Real &drama_dphi, Real &drama_dpsi) const
void eval_rama_score_residue (AA const res_aa, Real const phi, Real const psi, Real &rama, Real &drama_dphi, Real &drama_dpsi) const
void IdealizeRamaEnergy (Real const phi, Real const psi, Real &rama, Real &drama_dphi, Real &drama_dpsi, Real const entropy, ObjexxFCL::FArray2A< Real > const &rama_for_res) const
void eval_rama_score_all (Pose &pose, ScoreFunction const &scorefxn) const
 evaluate rama score for each (protein) residue and store that score in the pose.energies() object
void write_rama_score_all (Pose const &pose) const

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::Ramachandran2B::Ramachandran2B ( )
core::scoring::Ramachandran2B::~Ramachandran2B ( ) [inline]

Member Function Documentation

void core::scoring::Ramachandran2B::eval_rama_score_all ( pose::Pose pose,
ScoreFunction const &  scorefxn 
) const
void core::scoring::Ramachandran2B::eval_rama_score_residue ( conformation::Residue const &  res,
chemical::AA const  left_aa,
chemical::AA const  right_aa,
Real rama,
Real drama_dphi,
Real drama_dpsi 
) const
void core::scoring::Ramachandran2B::eval_rama_score_residue ( conformation::Residue const &  res,
Real rama,
Real drama_dphi,
Real drama_dpsi 
) const
void core::scoring::Ramachandran2B::eval_rama_score_residue ( AA const  res_aa,
Real const  phi,
Real const  psi,
Real rama,
Real drama_dphi,
Real drama_dpsi 
) const

References IdealizeRamaEnergy().

Real core::scoring::Ramachandran2B::eval_rama_score_residue ( AA const  res_aa,
Real const  phi,
Real const  psi 
) const
void core::scoring::Ramachandran2B::IdealizeRamaEnergy ( Real const  phi,
Real const  psi,
Real rama,
Real drama_dphi,
Real drama_dpsi,
Real const  entropy,
ObjexxFCL::FArray2A< Real > const &  rama_for_res 
) const
Real core::scoring::Ramachandran2B::RamaE ( conformation::Residue const &  rsd) const

References RamaE().

Real core::scoring::Ramachandran2B::RamaE ( conformation::Residue const &  rsd,
Real drama_dphi,
Real drama_dpsi 
) const
Real core::scoring::Ramachandran2B::RamaE_Lower ( conformation::Residue const &  rsd,
chemical::AA const &  neighbor 
) const

References RamaE_Lower().

Real core::scoring::Ramachandran2B::RamaE_Lower ( conformation::Residue const &  rsd,
chemical::AA const &  neighbor,
Real drama_dphi,
Real drama_dpsi 
) const
Real core::scoring::Ramachandran2B::RamaE_Upper ( conformation::Residue const &  rsd,
chemical::AA const &  neighbor,
Real drama_dphi,
Real drama_dpsi 
) const
Real core::scoring::Ramachandran2B::RamaE_Upper ( conformation::Residue const &  rsd,
chemical::AA const &  neighbor 
) const

References RamaE_Upper().

void core::scoring::Ramachandran2B::write_rama_score_all ( Pose const &  pose) const

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