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protocols::relax::membrane::MPFastRelaxMover Class Reference

#include <MPFastRelaxMover.hh>

Inheritance diagram for protocols::relax::membrane::MPFastRelaxMover:
Inheritance graph

Public Member Functions

 MPFastRelaxMover ()
 Constructors & Setup ///. More...
 MPFastRelaxMover (core::scoring::ScoreFunctionOP sfxn)
 Allow the user to set a custom sfxn from the PyRosetta Interface. More...
 ~MPFastRelaxMover () override
 Destructor. More...
void setup_relax_foldtree (core::pose::Pose &pose)
 Create a custom foldtree anchored at the COM. More...
void show_protocol (core::pose::Pose &pose)
 Show protocol settings. More...
protocols::moves::MoverOP clone () const override
 Rosetta Scripts Methods ///. More...
protocols::moves::MoverOP fresh_instance () const override
 Create a Fresh Instance of this Mover. More...
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
 Pase Rosetta Scripts Options for this Mover. More...
void apply (core::pose::Pose &pose) override
 Mover methods ///. More...
std::string get_name () const override
 Get name (MPFastRelaxMover) 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 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...
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
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 bool mover_provides_citation_info () const
 Does this mover provide information about how to cite it? More...
virtual utility::vector1
< basic::citation_manager::CitationCollectionCOP > 
provide_citation_info () const
 Provide the citation. More...
virtual bool mover_is_unpublished () const
 Does this mover indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...
virtual utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const
 Provide a list of authors and their e-mail addresses, as strings. More...

Static Public Member Functions

static std::string mover_name ()
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
- 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...

Private Attributes

RelaxProtocolBaseOP relax_protocol_
core::scoring::ScoreFunctionOP sfxn_

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
- 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...

Constructor & Destructor Documentation

protocols::relax::membrane::MPFastRelaxMover::MPFastRelaxMover ( )

Constructors & Setup ///.

Default membrane fast relax constructor

Do normal fast relax protocol with the membrane energy function and custom foldtree

protocols::relax::membrane::MPFastRelaxMover::MPFastRelaxMover ( core::scoring::ScoreFunctionOP  sfxn)

Allow the user to set a custom sfxn from the PyRosetta Interface.

protocols::relax::membrane::MPFastRelaxMover::~MPFastRelaxMover ( )


Member Function Documentation

void protocols::relax::membrane::MPFastRelaxMover::apply ( core::pose::Pose pose)

Mover methods ///.

Create a new copy of this mover.

Apply fast relax - do the actual protocol

Return the Name of this mover (as seen by Rscripts) Mover name for Rosetta Scripts Mover methods /// Apply fast relax - do the actual protocol

Implements protocols::moves::Mover.

References core::pose::Pose::conformation(), core::scoring::ScoreFunctionFactory::create_score_function(), core::conformation::Conformation::is_membrane(), core::pose::Pose::membrane_info(), relax_protocol_, setup_relax_foldtree(), sfxn_, and show_protocol().

protocols::moves::MoverOP protocols::relax::membrane::MPFastRelaxMover::clone ( ) const

Rosetta Scripts Methods ///.

Create a Clone of this mover

Reimplemented from protocols::moves::Mover.

protocols::moves::MoverOP protocols::relax::membrane::MPFastRelaxMover::fresh_instance ( ) const

Create a Fresh Instance of this Mover.

Reimplemented from protocols::moves::Mover.

std::string protocols::relax::membrane::MPFastRelaxMover::get_name ( ) const

Get name (MPFastRelaxMover)

Get the name of this mover

Implements protocols::moves::Mover.

References mover_name().

std::string protocols::relax::membrane::MPFastRelaxMover::mover_name ( )
void protocols::relax::membrane::MPFastRelaxMover::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &   

Pase Rosetta Scripts Options for this Mover.

Reimplemented from protocols::moves::Mover.

void protocols::relax::membrane::MPFastRelaxMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
void protocols::relax::membrane::MPFastRelaxMover::setup_relax_foldtree ( core::pose::Pose pose)

Create a custom foldtree anchored at the COM.

Get name (MPFastRelaxMover)

Generate a foldtree where the membrane residue is anchored at the center of mass of the chain. Also recreates other jumps in the protein

Get the name of this mover Create a custom foldtree anchored at the COM

Generate a foldtree where the membrane residue is anchored at the center of mass of the chain. Also recreates other jumps in the protein

References core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::pose::Pose::fold_tree(), core::conformation::Conformation::is_membrane(), core::pose::Pose::membrane_info(), core::conformation::Conformation::num_chains(), core::conformation::symmetry::residue_center_of_mass(), core::kinematics::FoldTree::simple_tree(), core::pose::Pose::size(), and protocols::relax::TR().

Referenced by apply().

void protocols::relax::membrane::MPFastRelaxMover::show_protocol ( core::pose::Pose pose)

Show protocol settings.

Show the current setup of this protocol.

Show the current setup of this fast relax mover

References core::conformation::membrane::center, core::pose::Pose::conformation(), core::pose::Pose::fold_tree(), core::pose::Pose::membrane_info(), core::conformation::membrane::normal, relax_protocol_, and protocols::relax::TR().

Referenced by apply().

Member Data Documentation

RelaxProtocolBaseOP protocols::relax::membrane::MPFastRelaxMover::relax_protocol_

Referenced by apply(), and show_protocol().

core::scoring::ScoreFunctionOP protocols::relax::membrane::MPFastRelaxMover::sfxn_

Referenced by apply().

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