protocols::kinematic_closure::perturbers::RamaPerturber Class Reference

Pick phi/psi pairs from the rama distribution. More...

#include <RamaPerturber.hh>

Inheritance diagram for protocols::kinematic_closure::perturbers::RamaPerturber:

Public Member Functions
std::string	get_name () const override
	Return the name of this perturber. More...
void	perturb_subset (Pose const &pose, IndexList const &residues, ClosureProblemOP problem) override
void	perturb_subset_with_balance (Pose const &pose, IndexList const &residues, ClosureProblemOP problem) override
	Perturb the given residues such that detailed balance is obeyed. More...
Public Member Functions inherited from protocols::kinematic_closure::perturbers::Perturber
void	perturb (Pose const &pose, ClosureProblemOP problem)
	Perturb all of the non-pivot residues. More...
void	perturb_with_balance (Pose const &pose, ClosureProblemOP problem)
	Perturb all of the non-pivot residues such that detailed balance is obeyed. More...

Detailed Description

Pick phi/psi pairs from the rama distribution.

Member Function Documentation

get_name()

std::string protocols::kinematic_closure::perturbers::RamaPerturber::get_name ( ) const

inlineoverridevirtual

Return the name of this perturber.

Implements protocols::kinematic_closure::perturbers::Perturber.

perturb_subset()

void protocols::kinematic_closure::perturbers::RamaPerturber::perturb_subset ( Pose const &  pose, IndexList const &  residues, ClosureProblemOP  problem  )

overridevirtual

Implements protocols::kinematic_closure::perturbers::Perturber.

References core::pose::Pose::aa(), core::conformation::Residue::has_property(), core::scoring::rama, and core::pose::Pose::residue().

perturb_subset_with_balance()

void protocols::kinematic_closure::perturbers::RamaPerturber::perturb_subset_with_balance ( Pose const &  pose, IndexList const &  residues, ClosureProblemOP  problem  )

overridevirtual

Perturb the given residues such that detailed balance is obeyed.

If not reimplemented, this method will kill rosetta and complain that no balanced implementation of this algorithm exists.

The balanced version of this algorithm picks phi/psi pairs uniformly from the allowed regions of rama space. This is more efficient than sampling from a completely uniform distribution, and it still obeys detailed balance.

Reimplemented from protocols::kinematic_closure::perturbers::Perturber.

References core::pose::Pose::aa(), and core::scoring::rama.

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

• src/protocols/kinematic_closure/perturbers/RamaPerturber.hh
• src/protocols/kinematic_closure/perturbers/RamaPerturber.cc