Rosetta 3.4
Public Member Functions
protocols::symmetric_docking::SymDockingHiRes Class Reference

#include <SymDockingHiRes.hh>

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List of all members.

Public Member Functions

 SymDockingHiRes ()
 SymDockingHiRes (core::scoring::ScoreFunctionOP scorefxn_in, core::scoring::ScoreFunctionOP scorefxn_pack_in)
moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual ~SymDockingHiRes ()
void set_default (core::pose::Pose &pose)
void set_move_map (core::kinematics::MoveMapOP movemap_in)
void set_min_type (std::string min_type_in)
void set_repack (bool repack_switch)
void set_protocol (core::pose::Pose &pose)
void set_dock_min_protocol ()
 main entrance for normal rigid-body minimization
void set_dock_mcm_protocol (core::pose::Pose &pose)
 main entrance to do monte carlo minimization
void set_dock_ppk_protocol (core::pose::Pose &pose)
 define the prepacking protocol
moves::MonteCarloOP get_mc ()
void design (bool const des)
bool design () const
virtual void apply (core::pose::Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
void task_factory (core::pack::task::TaskFactoryOP task)
core::pack::task::TaskFactoryOPtask_factory ()

Constructor & Destructor Documentation

protocols::symmetric_docking::SymDockingHiRes::SymDockingHiRes ( )
protocols::symmetric_docking::SymDockingHiRes::SymDockingHiRes ( core::scoring::ScoreFunctionOP  scorefxn_in,
core::scoring::ScoreFunctionOP  scorefxn_pack_in 
)
protocols::symmetric_docking::SymDockingHiRes::~SymDockingHiRes ( ) [virtual]

Member Function Documentation

void protocols::symmetric_docking::SymDockingHiRes::apply ( core::pose::Pose pose) [virtual]

docking high resolution apply function

Detailed:
decides what to call according to options

Implements protocols::moves::Mover.

References set_default(), and protocols::symmetric_docking::TR().

protocols::moves::MoverOP protocols::symmetric_docking::SymDockingHiRes::clone ( ) const [virtual]

clone has to be overridden only if clone invocation is expected.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

References SymDockingHiRes().

void protocols::symmetric_docking::SymDockingHiRes::design ( bool const  des)
bool protocols::symmetric_docking::SymDockingHiRes::design ( ) const
moves::MonteCarloOP protocols::symmetric_docking::SymDockingHiRes::get_mc ( )
std::string protocols::symmetric_docking::SymDockingHiRes::get_name ( ) const [virtual]

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

Implements protocols::moves::Mover.

void protocols::symmetric_docking::SymDockingHiRes::set_default ( core::pose::Pose pose)
void protocols::symmetric_docking::SymDockingHiRes::set_dock_mcm_protocol ( core::pose::Pose pose)

main entrance to do monte carlo minimization

dock_mcm_protocol

Detailed:
a total of 50 cycles of monte-carlo minimization will be carried out if the minimized structure can pass the filter after the first and fifth cycle. Then it is rigid-body minimized to a stringent tolerance.
Remarks:
References: docking_mcm_protocol from docking_minimize.cc
pose_docking_monte_carlo_minimize from pose_docking.cc
Authors:
Sid Chaudhury May 28 2009, modified for symmetric docking by Ingemar Andre
Last Modified: April 30 2008

References core::pose::Pose::conformation(), core::pose::symmetry::is_symmetric(), core::conformation::symmetry::SymmetricConformation::Symmetry_Info(), and protocols::symmetric_docking::TR().

Referenced by set_protocol().

void protocols::symmetric_docking::SymDockingHiRes::set_dock_min_protocol ( )

main entrance for normal rigid-body minimization

minimize_trial

Detailed:
retrieve the structure in the low array and do the normal minimization by calling using a min_mover to optimize the score accourding to the scorefunction that has been set
Remarks:
References: docking_minimize_trial from docking_minimize.cc
pose_docking_minimize_trial from pose_docking.cc
Authors:
Monica Berrondo June 14 2007, modified for symmetric docking by Ingemar Andre
Last Modified: October 15 2007

References protocols::symmetric_docking::TR().

Referenced by set_protocol().

void protocols::symmetric_docking::SymDockingHiRes::set_dock_ppk_protocol ( core::pose::Pose pose)
void protocols::symmetric_docking::SymDockingHiRes::set_min_type ( std::string  min_type_in)
void protocols::symmetric_docking::SymDockingHiRes::set_move_map ( core::kinematics::MoveMapOP  movemap_in)
void protocols::symmetric_docking::SymDockingHiRes::set_protocol ( core::pose::Pose pose)
void protocols::symmetric_docking::SymDockingHiRes::set_repack ( bool  repack_switch)
void protocols::symmetric_docking::SymDockingHiRes::task_factory ( core::pack::task::TaskFactoryOP  task)
core::pack::task::TaskFactoryOP & protocols::symmetric_docking::SymDockingHiRes::task_factory ( )

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