Rosetta 3.4
Public Member Functions
protocols::ligand_docking::RigidSearchMover Class Reference

An optimized mover for Monte Carlo trial of rigid body perturbations. More...

#include <RigidSearchMover.hh>

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List of all members.

Public Member Functions

 RigidSearchMover (int jump_id, int num_trials, core::scoring::ScoreFunctionCOP scorefxn)
 RigidSearchMover (RigidSearchMover const &that)
virtual ~RigidSearchMover ()
virtual void apply (core::pose::Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
bool recover_low () const
 Will the absolute lowest-energy pose be recovered at the end of apply()?
void recover_low (bool b)
 Should the absolute lowest-energy pose be recovered at the end of apply()?
core::Real translation () const
 Amount of random (Gaussian) translation, in Angstroms.
void translation (core::Real angstroms)
 Amount of random (Gaussian) translation, in Angstroms.
core::Real rotation () const
 Amount of random (Gaussian) rotation, in degrees.
void rotation (core::Real degrees)
 Amount of random (Gaussian) rotation, in degrees.
void rotate_around_downstream_centroid ()
 Rotation occurs around centroid of downstream half of the jump (default)
void rotate_around_atom (core::Size rsd, core::Size atom)
 Rotation occurs around the specified atom.

Detailed Description

An optimized mover for Monte Carlo trial of rigid body perturbations.


Constructor & Destructor Documentation

protocols::ligand_docking::RigidSearchMover::RigidSearchMover ( int  jump_id,
int  num_trials,
core::scoring::ScoreFunctionCOP  scorefxn 
)
protocols::ligand_docking::RigidSearchMover::RigidSearchMover ( RigidSearchMover const &  that)
protocols::ligand_docking::RigidSearchMover::~RigidSearchMover ( ) [virtual]

Member Function Documentation

void protocols::ligand_docking::RigidSearchMover::apply ( core::pose::Pose pose) [virtual]
std::string protocols::ligand_docking::RigidSearchMover::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

void protocols::ligand_docking::RigidSearchMover::recover_low ( bool  b) [inline]

Should the absolute lowest-energy pose be recovered at the end of apply()?

References protocols::match::upstream::b.

bool protocols::ligand_docking::RigidSearchMover::recover_low ( ) const [inline]

Will the absolute lowest-energy pose be recovered at the end of apply()?

void protocols::ligand_docking::RigidSearchMover::rotate_around_atom ( core::Size  rsd,
core::Size  atom 
) [inline]

Rotation occurs around the specified atom.

void protocols::ligand_docking::RigidSearchMover::rotate_around_downstream_centroid ( ) [inline]

Rotation occurs around centroid of downstream half of the jump (default)

core::Real protocols::ligand_docking::RigidSearchMover::rotation ( ) const [inline]

Amount of random (Gaussian) rotation, in degrees.

void protocols::ligand_docking::RigidSearchMover::rotation ( core::Real  degrees) [inline]

Amount of random (Gaussian) rotation, in degrees.

void protocols::ligand_docking::RigidSearchMover::translation ( core::Real  angstroms) [inline]

Amount of random (Gaussian) translation, in Angstroms.

core::Real protocols::ligand_docking::RigidSearchMover::translation ( ) const [inline]

Amount of random (Gaussian) translation, in Angstroms.


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