Rosetta Protocols  2014.35
Public Member Functions | Private Attributes | List of all members
protocols::antibody_legacy::LoopRlxMover Class Reference

Closes only one CDR onto a framework. More...

#include <GraftMover.hh>

Public Member Functions

 LoopRlxMover (core::Size query_start, core::Size query_end)
void set_default ()
virtual void apply (core::pose::Pose &pose_in)
 relaxes the region specified More...
virtual std::string get_name () const
 Each derived class must specify its name. The class name. More...
void setup_packer_task (core::pose::Pose &pose_in)
void enable_benchmark_mode (bool setting)
 enable benchmark mode More...
- Public Member Functions inherited from protocols::moves::Mover
 Mover ()
virtual ~Mover ()
virtual MoverSP create ()
virtual void apply (core::io::serialization::PipeMap &pmap)
virtual void parse_state (SerializableState const &state)
virtual void parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache)
virtual void save_state (SerializableState &state)
 Mover (std::string const &type_name)
 sets the type for a mover; name_ has been removed (2010/05/14) More...
 Mover (Mover const &other)
Moveroperator= (Mover const &other)
 assignment operator More...
virtual core::Real last_proposal_density_ratio ()
std::string const & type () const
void set_type (std::string const &setting)
std::string get_current_tag () const
 A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More...
void set_current_tag (std::string const &new_tag)
virtual void set_input_pose (PoseCOP pose)
 setter for poses contained for rms More...
virtual void set_native_pose (PoseCOP pose)
 setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...
PoseCOP get_input_pose () const
PoseCOP get_native_pose () const
virtual void test_move (Pose &pose)
 : Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More...
void type (const std::string &type_in)
virtual MoverOP clone () const
 Return a clone of the Mover object. More...
virtual void parse_my_tag (TagCOP tag, basic::datacache::DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...
std::string get_type () const
MoverStatus get_last_move_status () const
 end parser interface, start Job Distributor interface///////////// More...
void reset_status ()
 resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More...
virtual core::pose::PoseOP get_additional_output ()
 Mechanism by which a mover may return multiple output poses from a single input pose. More...
virtual void clear_info ()
 Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More...
virtual Stringsinfo ()
 non-const accessor More...
virtual Strings const & info () const
 const accessor More...
virtual bool reinitialize_for_each_job () const
 Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on each use. More...
virtual bool reinitialize_for_new_input () const
 Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose). More...
virtual MoverOP fresh_instance () const
 Generates a new Mover object freshly created with the default ctor. More...
void set_current_job (protocols::jobdist::BasicJobCOP job)
jobdist::BasicJobCOP get_current_job () const
virtual void show (std::ostream &output=std::cout) const
 Outputs details about the Mover, including current settings. More...

Private Attributes

core::Size loop_start_
core::Size loop_end_
bool benchmark_
 benchmark flag More...
core::scoring::ScoreFunctionOP highres_scorefxn_
core::pack::task::TaskFactoryOP tf_
core::pack::task::TaskFactoryOP init_task_factory_

Additional Inherited Members

- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP TagCOP
typedef core::pose::Pose Pose
typedef core::pose::PoseCOP PoseCOP
typedef std::list< std::stringStrings
- Static Public Member Functions inherited from protocols::moves::Mover
static std::string name ()
static void register_options ()
 Overload this static method if you access options within the mover. More...
- Protected Member Functions inherited from protocols::moves::Mover
void set_last_move_status (MoverStatus status)
 nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More...

Detailed Description

Closes only one CDR onto a framework.

Constructor & Destructor Documentation

protocols::antibody_legacy::LoopRlxMover::LoopRlxMover ( core::Size  query_start,
core::Size  query_end 

References loop_end_, loop_start_, and set_default().

Member Function Documentation

void protocols::antibody_legacy::LoopRlxMover::apply ( core::pose::Pose pose_in)

relaxes the region specified


Detailed: This is all done in high resolution.Hence there are no rigid
body moves relative to the docking partners. Only small moves are carried out here to see if there are better fits. Repacking is carried out extensively after each move.
[in]pose,loopbegin position, loop end position
Global Read: none
Global Write: none
Aroop 05/12/2010
Last Modified: 05/12/2010

Implements protocols::moves::Mover.

References protocols::moves::MoverContainer::add_mover(), core::pose::add_variant_type_to_pose_residue(), protocols::simple_moves::RotamerTrialsMover::apply(), protocols::moves::SequenceMover::apply(), benchmark_, core::pose::Pose::fold_tree(), core::conformation::Residue::has_variant_type(), highres_scorefxn_, core::pose::Pose::is_fullatom(), core::conformation::Residue::is_upper_terminus(), loop_end_, loop_start_, numeric::max(), mc, min_tolerance, min_type, numeric::mod(), outer_cycles, core::pack::task::TaskFactory::push_back(), core::pose::Pose::residue(), protocols::loops::select_loop_residues(), setup_packer_task(), protocols::antibody_legacy::simple_one_loop_fold_tree(), temperature, tf_, core::pose::Pose::total_residue(), protocols::TR, and utility_exit_with_message.

void protocols::antibody_legacy::LoopRlxMover::enable_benchmark_mode ( bool  setting)

enable benchmark mode

References benchmark_.

std::string protocols::antibody_legacy::LoopRlxMover::get_name ( ) const

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

Implements protocols::moves::Mover.

void protocols::antibody_legacy::LoopRlxMover::set_default ( )
void protocols::antibody_legacy::LoopRlxMover::setup_packer_task ( core::pose::Pose pose_in)

Member Data Documentation

bool protocols::antibody_legacy::LoopRlxMover::benchmark_

benchmark flag

Referenced by apply(), and enable_benchmark_mode().

core::scoring::ScoreFunctionOP protocols::antibody_legacy::LoopRlxMover::highres_scorefxn_

Referenced by apply(), and set_default().

core::pack::task::TaskFactoryOP protocols::antibody_legacy::LoopRlxMover::init_task_factory_

Referenced by setup_packer_task().

core::Size protocols::antibody_legacy::LoopRlxMover::loop_end_

Referenced by apply(), and LoopRlxMover().

core::Size protocols::antibody_legacy::LoopRlxMover::loop_start_

Referenced by apply(), and LoopRlxMover().

core::pack::task::TaskFactoryOP protocols::antibody_legacy::LoopRlxMover::tf_

Referenced by apply(), and setup_packer_task().

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