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protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber Class Reference

torsion-restricted kinematic perturber (still samples randomly, but only within a given torsion bin) More...

#include <KinematicPerturber.hh>

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Public Types

typedef KinematicPerturber parent
 

Public Member Functions

 TorsionRestrictedKinematicPerturber (KinematicMoverCAP kinmover_in, std::string torsion_bins)
 
 ~TorsionRestrictedKinematicPerturber ()
 
std::string perturber_type () const
 
void perturb_chain (core::pose::Pose const &pose, utility::vector1< core::Real > &torsions, utility::vector1< core::Real > &bond_ang, utility::vector1< core::Real > &)
 
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
 after the kinmover has closed the loop, the perturber needs 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 ()
 
virtual ~KinematicPerturber ()
 
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 ()
 

Private Attributes

bool vary_ca_bond_angles_
 
bool sample_omega_for_pre_prolines_
 
std::string predefined_torsions_
 
core::scoring::Ramachandran const & rama_
 

Additional Inherited Members

- Protected Attributes inherited from protocols::loops::loop_closure::kinematic_closure::KinematicPerturber
KinematicMoverCAP kinmover_
 
core::Size max_sample_iterations_
 

Detailed Description

torsion-restricted kinematic perturber (still samples randomly, but only within a given torsion bin)

Author
Amelie Stein

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::TorsionRestrictedKinematicPerturber ( KinematicMoverCAP  kinmover_in,
std::string  torsion_bins 
)
protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::~TorsionRestrictedKinematicPerturber ( )

Member Function Documentation

void protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::perturb_chain ( core::pose::Pose const &  pose,
utility::vector1< core::Real > &  torsions,
utility::vector1< core::Real > &  bond_ang,
utility::vector1< core::Real > &   
)
virtual
std::string protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::perturber_type ( ) const
inlinevirtual
void protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::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
virtual

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

Reimplemented from protocols::loops::loop_closure::kinematic_closure::KinematicPerturber.

References core::pose::Pose::atom_tree(), core::kinematics::AtomTree::bond_angle_dof_id(), protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover_, core::pose::Pose::set_dof(), protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_pose_after_closure(), and vary_ca_bond_angles_.

void protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::set_vary_ca_bond_angles ( bool  vary_ca_bond_angles)
inline

References vary_ca_bond_angles_.

Member Data Documentation

std::string protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::predefined_torsions_
private
core::scoring::Ramachandran const& protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::rama_
private

Referenced by perturb_chain().

bool protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::sample_omega_for_pre_prolines_
private
bool protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::vary_ca_bond_angles_
private

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