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>

Inheritance diagram for protocols::antibody_legacy::LoopRlxMover:
Inheritance graph

Public Member Functions

 LoopRlxMover (core::Size query_start, core::Size query_end)
void set_default ()
void apply (core::pose::Pose &pose_in) override
 relaxes the region specified More...
std::string get_name () const override
 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 MoverOP create ()
MoverCOP get_self_ptr () const
MoverOP get_self_ptr ()
MoverCAP get_self_weak_ptr () const
MoverAP get_self_weak_ptr ()
 Mover (std::string const &type_name)
 sets the type for a mover; name_ has been removed (2010/05/14) More...
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...
virtual MoverOP clone () const
 Return a clone of the Mover object. 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...
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...
void set_type (std::string const &setting)
 Set the 'type' string. More...
std::string get_type () const
void type (const std::string &type_in)
 Set the 'type' string. More...
std::string const & type () const
 Get the set 'type' string. More...
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 parse_my_tag (TagCOP tag, basic::datacache::DataMap &data)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...
void set_current_job (protocols::jobdist::BasicJobCOP job)
jobdist::BasicJobCOP get_current_job () const
virtual void set_current_tag (std::string const &new_tag)
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...
virtual void show (std::ostream &output=std::cout) const
 Outputs details about the Mover, including current settings. More...
virtual core::Real last_proposal_density_ratio ()
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 void provide_citation_info (basic::citation_manager::CitationCollectionList &) const
 Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. 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::string > Strings
- 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

◆ LoopRlxMover()

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

References loop_end_, loop_start_, and set_default().

Member Function Documentation

◆ apply()

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

relaxes the region specified

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

Implements protocols::moves::Mover.

References core::pose::add_variant_type_to_pose_residue(), benchmark_, core::chemical::CUTPOINT_LOWER, core::chemical::CUTPOINT_UPPER, 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_, protocols::mean_field::max(), core::pose::Pose::residue(), protocols::loops::select_loop_residues(), setup_packer_task(), protocols::antibody_legacy::simple_one_loop_fold_tree(), core::pose::Pose::size(), tf_, and protocols::TR().

◆ enable_benchmark_mode()

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

enable benchmark mode

References benchmark_.

◆ get_name()

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

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

Implements protocols::moves::Mover.

◆ set_default()

void protocols::antibody_legacy::LoopRlxMover::set_default ( )

◆ setup_packer_task()

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

Member Data Documentation

◆ benchmark_

bool protocols::antibody_legacy::LoopRlxMover::benchmark_

benchmark flag

Referenced by apply(), and enable_benchmark_mode().

◆ highres_scorefxn_

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

Referenced by apply(), and set_default().

◆ init_task_factory_

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

Referenced by setup_packer_task().

◆ loop_end_

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

Referenced by apply(), and LoopRlxMover().

◆ loop_start_

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

Referenced by apply(), and LoopRlxMover().

◆ tf_

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: