Rosetta 3.4
Public Types | Public Member Functions
core::scoring::methods::RamachandranEnergy2B Class Reference

#include <RamachandranEnergy2B.hh>

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List of all members.

Public Types

typedef
ContextIndependentTwoBodyEnergy 
parent

Public Member Functions

 RamachandranEnergy2B ()
 ctor
virtual EnergyMethodOP clone () const
 clone
virtual void residue_pair_energy (conformation::Residue const &rsd1, conformation::Residue const &rsd2, pose::Pose const &, ScoreFunction const &, EnergyMap &emap) const
 Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.
virtual bool defines_intrares_energy (EnergyMap const &) const
 Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.
virtual void eval_intrares_energy (conformation::Residue const &rsd, pose::Pose const &, ScoreFunction const &, EnergyMap &emap) const
 Evaluate the intra-residue energy for a given residue.
virtual Distance atomic_interaction_cutoff () const
virtual Real eval_dof_derivative (id::DOF_ID const &, id::TorsionID const &tor_id, pose::Pose const &pose, ScoreFunction const &, EnergyMap const &weights) const
virtual void indicate_required_context_graphs (utility::vector1< bool > &) const
 Ramachandran Energy is context independent and thus indicates that no context graphs need to be maintained by class Energies.

Member Typedef Documentation


Constructor & Destructor Documentation

core::scoring::methods::RamachandranEnergy2B::RamachandranEnergy2B ( )

ctor

Referenced by clone().


Member Function Documentation

Real core::scoring::methods::RamachandranEnergy2B::atomic_interaction_cutoff ( ) const [virtual]

fictional Cprev-Nnext distance + fudge.

Implements core::scoring::methods::ShortRangeTwoBodyEnergy.

EnergyMethodOP core::scoring::methods::RamachandranEnergy2B::clone ( ) const [virtual]
bool core::scoring::methods::RamachandranEnergy2B::defines_intrares_energy ( EnergyMap const &  weights) const [virtual]

Two body energies are able to define intra-residue energies, and to do so only in the presence of certain non-zero weights. The ScoreFunction will hand over its weight set as it asks whether the energy method defines an intraresidue energy or not.

For example, the Etable method defines intra-residue energies only when one or more of the fa_intra_{atr,rep,sol} weights are non-zero.

Implements core::scoring::methods::TwoBodyEnergy.

Real core::scoring::methods::RamachandranEnergy2B::eval_dof_derivative ( id::DOF_ID const &  ,
id::TorsionID const &  tor_id,
pose::Pose const &  pose,
ScoreFunction const &  ,
EnergyMap const &  weights 
) const [virtual]
void core::scoring::methods::RamachandranEnergy2B::eval_intrares_energy ( conformation::Residue const &  rsd,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]
void core::scoring::methods::RamachandranEnergy2B::indicate_required_context_graphs ( utility::vector1< bool > &  ) const [virtual]

Ramachandran Energy is context independent and thus indicates that no context graphs need to be maintained by class Energies.

Implements core::scoring::methods::EnergyMethod.

void core::scoring::methods::RamachandranEnergy2B::residue_pair_energy ( conformation::Residue const &  rsd1,
conformation::Residue const &  rsd2,
pose::Pose const &  pose,
ScoreFunction const &  sfxn,
EnergyMap emap 
) const [virtual]

Evaluate the interaction between a given residue pair accumulating the unweighted energies in an EnergyMap.

Implements core::scoring::methods::TwoBodyEnergy.

References core::conformation::Residue::chain(), core::conformation::Residue::is_protein(), core::scoring::rama2b, and core::conformation::Residue::seqpos().


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