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protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber Class Reference

neighbor-dependent torsion sampling kinematic perturber – uses rama2b for phi/psi lookup More...

#include <KinematicPerturber.hh>

Inheritance diagram for protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber:
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Public Types

typedef KinematicPerturber parent
 

Public Member Functions

 NeighborDependentTorsionSamplingKinematicPerturber (KinematicMoverCAP kinmover_in)
 
 ~NeighborDependentTorsionSamplingKinematicPerturber () override
 
std::string perturber_type () const override
 
void perturb_chain (core::pose::Pose const &pose, utility::vector1< core::Real > &torsions, utility::vector1< core::Real > &bond_ang, utility::vector1< core::Real > &) override
 
void set_pose_after_closure (core::pose::Pose &pose, utility::vector1< core::Real > const &torsions, utility::vector1< core::Real > const &bond_ang, utility::vector1< core::Real > const &bond_len, bool closure_successful) const override
 after the kinmover has closed the loop, the perturber needs to put the solutions into the pose note: the base class version of this function sets the torsions, so any KinematicPerturber that only changes the torsions will not have to implement this function More...
 
void set_vary_ca_bond_angles (bool vary_ca_bond_angles)
 
- Public Member Functions inherited from protocols::loops::loop_closure::kinematic_closure::KinematicPerturber
 KinematicPerturber ()
 
 ~KinematicPerturber () override
 
void set_kinmover (KinematicMoverCAP kinmover)
 
void set_movemap (core::kinematics::MoveMapCOP mm)
 
core::kinematics::MoveMapCOP get_movemap () const
 
virtual bool perturber_exhausted () const
 
void set_max_sample_iterations (core::Size sample_its)
 
core::Size max_sample_iterations () const
 
void clear_torsion_string_stack ()
 
KinematicMoverCAP kinmover () const
 

Private Attributes

bool vary_ca_bond_angles_
 
bool sample_omega_for_pre_prolines_
 
core::scoring::Ramachandran2B
const & 
rama_
 

Detailed Description

neighbor-dependent torsion sampling kinematic perturber – uses rama2b for phi/psi lookup

Author
Amelie Stein

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::NeighborDependentTorsionSamplingKinematicPerturber ( KinematicMoverCAP  kinmover_in)
protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::~NeighborDependentTorsionSamplingKinematicPerturber ( )
overridedefault

Member Function Documentation

void protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::perturb_chain ( core::pose::Pose const &  pose,
utility::vector1< core::Real > &  torsions,
utility::vector1< core::Real > &  bond_ang,
utility::vector1< core::Real > &   
)
overridevirtual
std::string protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::perturber_type ( ) const
inlineoverridevirtual
void protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::set_pose_after_closure ( core::pose::Pose pose,
utility::vector1< core::Real > const &  torsions,
utility::vector1< core::Real > const &  ,
utility::vector1< core::Real > const &  ,
bool   
) const
overridevirtual
void protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::set_vary_ca_bond_angles ( bool  vary_ca_bond_angles)
inline

References vary_ca_bond_angles_.

Member Data Documentation

core::scoring::Ramachandran2B const& protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::rama_
private

Referenced by perturb_chain().

bool protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::sample_omega_for_pre_prolines_
private

Referenced by perturb_chain().

bool protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::vary_ca_bond_angles_
private

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