#include <MPFastRelaxMover.hh>
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 Strings & | info () |
| 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... | |
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
◆ MPFastRelaxMover() [1/2]
| 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
◆ MPFastRelaxMover() [2/2]
| protocols::relax::membrane::MPFastRelaxMover::MPFastRelaxMover | ( | core::scoring::ScoreFunctionOP | sfxn | ) |
Allow the user to set a custom sfxn from the PyRosetta Interface.
◆ ~MPFastRelaxMover()
|
overridedefault |
Destructor.
Member Function Documentation
◆ apply()
|
overridevirtual |
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().
◆ clone()
|
overridevirtual |
Rosetta Scripts Methods ///.
Create a Clone of this mover
Reimplemented from protocols::moves::Mover.
◆ fresh_instance()
|
overridevirtual |
Create a Fresh Instance of this Mover.
Reimplemented from protocols::moves::Mover.
◆ get_name()
|
overridevirtual |
Get name (MPFastRelaxMover)
Get the name of this mover
Implements protocols::moves::Mover.
References mover_name().
◆ mover_name()
|
static |
Referenced by get_name(), protocols::relax::membrane::MPFastRelaxMoverCreator::keyname(), and provide_xml_schema().
◆ parse_my_tag()
|
overridevirtual |
Pase Rosetta Scripts Options for this Mover.
Reimplemented from protocols::moves::Mover.
◆ provide_xml_schema()
|
static |
◆ setup_relax_foldtree()
| 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::kinematics::FoldTree::new_jump(), core::conformation::Conformation::num_chains(), core::kinematics::FoldTree::reorder(), core::conformation::symmetry::residue_center_of_mass(), core::kinematics::FoldTree::show(), core::kinematics::FoldTree::simple_tree(), core::pose::Pose::size(), and protocols::relax::TR().
Referenced by apply().
◆ show_protocol()
| 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
◆ relax_protocol_
|
private |
Referenced by apply(), and show_protocol().
◆ sfxn_
|
private |
Referenced by apply().
The documentation for this class was generated from the following files:
- src/protocols/relax/membrane/MPFastRelaxMover.hh
- src/protocols/relax/membrane/MPFastRelaxMover.cc
