core::pack::rotamers::TorsionEnergy Struct Reference

#include <SingleResidueRotamerLibrary.hh>

Public Attributes
core::Real	tot = 0.0
core::Real	rot = 0.0
	The total energy for the torsion. More...
core::Real	dev = 0.0
	The rotamer-bin component of the energy. More...
core::Real	semi = 0.0
	The off-peak deviation component of the energy. More...

Member Data Documentation

dev

core::Real core::pack::rotamers::TorsionEnergy::dev = 0.0

The rotamer-bin component of the energy.

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_energy(), core::pack::dunbrack::RotamerLibraryScratchSpace::extract_torsion_deriv(), core::pack::dunbrack::DunbrackEnergy::residue_energy(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::rotamer_energy_bbdep().

rot

core::Real core::pack::rotamers::TorsionEnergy::rot = 0.0

The total energy for the torsion.

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_energy(), core::pack::dunbrack::RotamerLibraryScratchSpace::extract_torsion_deriv(), and core::pack::dunbrack::DunbrackEnergy::residue_energy().

semi

core::Real core::pack::rotamers::TorsionEnergy::semi = 0.0

The off-peak deviation component of the energy.

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_deriv(), core::pack::dunbrack::RotamerLibraryScratchSpace::extract_torsion_deriv(), core::pack::dunbrack::DunbrackEnergy::residue_energy(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::rotamer_energy_bbdep().

tot

core::Real core::pack::rotamers::TorsionEnergy::tot = 0.0

Referenced by core::pack::dunbrack::DunbrackEnergy::eval_residue_dof_derivative(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_deriv(), core::pack::dunbrack::RotamericSingleResidueDunbrackLibrary< T, N >::eval_rotameric_energy(), core::pack::dunbrack::RotamerLibraryScratchSpace::extract_torsion_deriv(), core::pack::dunbrack::cenrot::SingleResidueCenrotLibrary::rotamer_energy(), core::pack::rotamers::SingleLigandRotamerLibrary::rotamer_energy(), and core::pack::dunbrack::SemiRotamericSingleResidueDunbrackLibrary< T, N >::rotamer_energy_bbdep().

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The documentation for this struct was generated from the following file:

• src/core/pack/rotamers/SingleResidueRotamerLibrary.hh