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protocols::minimization_packing::MinMover Class Reference

A protocols::moves::Mover that minimizes a Pose to a local energy minimum by performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. The minimization type, minimization tolerance, and various other options can be also be set. More...

#include <MinMover.hh>

Inheritance diagram for protocols::minimization_packing::MinMover:
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Public Types

typedef
core::scoring::ScoreFunctionCOP 
ScoreFunctionCOP
 
typedef
core::optimization::MinimizerOptionsOP 
MinimizerOptionsOP
 
typedef
core::optimization::MinimizerOptionsCOP 
MinimizerOptionsCOP
 
typedef core::Real Real
 
- 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
 

Public Member Functions

 MinMover ()
 Constructs a MinMover minmover = protocols::minimization_packing::MinMover() More...
 
 MinMover (std::string const &)
 
 ~MinMover () override
 
 MinMover (core::kinematics::MoveMapOP movemap_in, ScoreFunctionCOP scorefxn_in, std::string const &min_type_in, Real tolerance_in, bool use_nb_list_in, bool deriv_check_in=false, bool deriv_check_verbose_in=false)
 constructor with arguments More...
 
void apply (core::pose::Pose &pose) override
 Minimizes the DOFs of <pose_> specified in the MoveMap using the ScoreFunction. More...
 
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
 
void show (std::ostream &output=std::cout) const override
 Outputs details about the Mover, including current settings. More...
 
void cartesian (bool newval)
 
bool cartesian () const
 
void abs_score_convergence_threshold (Real newval)
 
Real abs_score_convergence_threshold () const
 
protocols::moves::MoverOP clone () const override
 Return a clone of the Mover object. More...
 
protocols::moves::MoverOP fresh_instance () const override
 Generates a new Mover object freshly created with the default ctor. More...
 
void parse_my_tag (TagCOP, basic::datacache::DataMap &) override
 Called by protocols::moves::MoverFactory when constructing new protocols::moves::Movers. Takes care of the specific mover's parsing. More...
 
void parse_opts (TagCOP, basic::datacache::DataMap &data_map)
 
void parse_movemap_factory (TagCOP, basic::datacache::DataMap &)
 
void parse_dof_tasks (TagCOP tag, basic::datacache::DataMap &data)
 
void parse_dof_task_type (std::string const &tag_name, core::id::DOF_Type dof_type, core::id::TorsionType torsion_type, TagCOP tag, basic::datacache::DataMap &data)
 helper function for parse_of_tasks More...
 
virtual MinimizerOptionsOP min_options ()
 allow non-const access to the internal minimizer options object More...
 
virtual MinimizerOptionsCOP min_options () const
 allow const access to the internal minimizer options object More...
 
virtual void min_options (MinimizerOptionsOP min_options)
 directly set the internal minimizer options object More...
 
virtual void movemap (core::kinematics::MoveMapCOP movemap_in)
 Sets the MoveMap to <movemap_in> determines which DOF to minimize. More...
 
void set_movemap (core::kinematics::MoveMapCOP movemap_in) override
 
virtual void movemap_factory (core::select::movemap::MoveMapFactoryCOP mmf)
 Sets the MoveMapFactory The MoveMapFactory will be used to construct a MoveMap if an explicit one isn't set. More...
 
core::kinematics::MoveMapCOP movemap (core::pose::Pose const &pose) const override
 Get the movemap for the pose. More...
 
core::kinematics::MoveMapCOP explicitly_set_movemap () const
 Get the explicitly set movemap object, if present, nullptr if not Will not create a default or look at the MoveMapFactory. More...
 
virtual void score_function (ScoreFunctionCOP scorefxn_in)
 Sets the ScoreFunction to <scorefxn_in> determines which function to minimize. More...
 
virtual ScoreFunctionCOP score_function () const
 
virtual void min_type (std::string min_type_in)
 
virtual void tolerance (Real tolerance_in)
 
virtual void nb_list (bool nb_list_in)
 Indicate whether or not a handful of optimizations regarding the neighbor list should be enabled. More...
 
virtual void deriv_check (bool deriv_check_in)
 
virtual void max_iter (core::Size max_iter_in)
 
Real tolerance () const
 
std::string min_type () const
 
bool nb_list () const
 Indicate whether or not a handful of optimizations regarding the neighbor list have been enabled. More...
 
bool deriv_check () const
 
bool omega () const
 
void omega (bool const b)
 
Real score_diff_after_minimization () const
 
Real abs_score_diff_after_minimization () const
 
- Public Member Functions inherited from protocols::moves::MoveMapMover
 MoveMapMover ()
 
 MoveMapMover (std::string const &name)
 
 MoveMapMover (MoveMapMover const &)=default
 
 ~MoveMapMover () override=default
 
virtual void initialize (core::pose::Pose &)
 
- 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 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
utility::tag::XMLSchemaComplexTypeGeneratorOP 
complex_type_generator_for_min_mover (utility::tag::XMLSchemaDefinition &xsd)
 
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...
 

Protected Member Functions

void apply_dof_tasks_to_movemap (core::pose::Pose const &pose, core::kinematics::MoveMap &movemap) const
 for use with RosettaScripts current method of using TaskOperations to specify residue sets. More...
 
void minimize (core::pose::Pose &pose, core::kinematics::MoveMap const &active_movemap)
 run the minimizer (cartesian or torsion) based on set options, with the final movemap setup. Will call inner_run_minimizer multiple times if abs_score_convergence_threshold is set 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...
 

Private Types

typedef
protocols::moves::MoveMapMover 
Parent
 
typedef std::map< std::pair
< core::id::DOF_Type,
core::id::TorsionType >
, core::pack::task::TaskFactoryOP
DOF_TaskMap
 

Private Member Functions

void inner_run_minimizer (core::pose::Pose &pose, core::kinematics::MoveMap const &active_movemap)
 actual call to the minimizer, in helper function so it can be run multiple times by minimize() More...
 

Private Attributes

core::select::movemap::MoveMapFactoryCOP movemap_factory_
 
core::kinematics::MoveMapOP movemap_
 
bool omega_
 
ScoreFunctionCOP scorefxn_
 
MinimizerOptionsOP min_options_
 
Real abs_score_convergence_threshold_
 
Real score_before_minimization_
 
Real score_after_minimization_
 
bool cartesian_
 
DOF_TaskMap dof_tasks_
 

Detailed Description

A protocols::moves::Mover that minimizes a Pose to a local energy minimum by performing energy minimization of a ScoreFunction over the allowable degrees of freedom, defined by a MoveMap. The minimization type, minimization tolerance, and various other options can be also be set.

Common Methods: MinMover.apply MinMover.movemap MinMover.score_function

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::minimization_packing::MinMover::MinMover ( )

Constructs a MinMover minmover = protocols::minimization_packing::MinMover()

References min_options_, and omega_.

protocols::minimization_packing::MinMover::MinMover ( std::string const &  name)

References min_options_, and omega_.

protocols::minimization_packing::MinMover::~MinMover ( )
overridedefault
protocols::minimization_packing::MinMover::MinMover ( core::kinematics::MoveMapOP  movemap_in,
ScoreFunctionCOP  scorefxn_in,
std::string const &  min_type_in,
Real  tolerance_in,
bool  use_nb_list_in,
bool  deriv_check_in = false,
bool  deriv_check_verbose_in = false 
)

constructor with arguments

min_type_in indicates the type of minimizer to use. This is different for cartesion. Current recommendation (Jan 2016) is "dfpmin_armijo_nonmonotone"

tolerance_in indicates the tolerance on the minimizer. Smaller tolerance will result in lower energies, but increased runtime. Generally one would use .01

use_nb_list_in The neighbor list is based on the move map. It includes any atoms that can be moved by the minimizer plus their neighbors. This list is not updated during minimization. All scores for atoms and atom pairs outside the neighbor list are held fixed. All scores for atoms and atom pairs within the list are not cached (usually they would be), since it assumed that they will be changing rapidly. These optimizations are effective when a large number of small moves are being made. You may prefer to enable this option when minimizing in fullatom mode, and to disable it in centroid mode.

See also
core::scoring::AtomNeighbor

Member Function Documentation

void protocols::minimization_packing::MinMover::abs_score_convergence_threshold ( Real  newval)
inline
Real protocols::minimization_packing::MinMover::abs_score_convergence_threshold ( ) const
inline

References abs_score_convergence_threshold_.

Referenced by minimize(), and parse_opts().

Real protocols::minimization_packing::MinMover::abs_score_diff_after_minimization ( ) const

References score_diff_after_minimization().

Referenced by minimize().

void protocols::minimization_packing::MinMover::apply ( core::pose::Pose pose)
overridevirtual

Minimizes the DOFs of <pose_> specified in the MoveMap using the ScoreFunction.

example(s): minmover.apply(pose) See also: MinMover MinMover.movemap MinMover.score_function

Implements protocols::moves::Mover.

References apply_dof_tasks_to_movemap(), clone(), core::scoring::get_score_function(), core::pose::symmetry::is_symmetric(), core::pose::symmetry::make_symmetric_movemap(), minimize(), movemap(), and scorefxn_.

Referenced by protocols::protein_interface_design::movers::PrepackMover::apply(), protocols::backrub::BackrubProtocol::apply(), protocols::minimization_packing::symmetry::TaskAwareSymMinMover::apply(), protocols::simple_moves::DisulfideInsertionMover::apply(), protocols::minimization_packing::DisulfideOptimizationMover::apply(), protocols::carbohydrates::GlycanTreeModeler::apply(), protocols::peptide_deriver::PeptideDeriverFilter::generate_N2C_cyclic_peptide_protein_complex(), protocols::flexpep_docking::FlexPepDockingProtocol::hires_fpdock_protocol(), protocols::splice::SpliceOut::min_mover(), protocols::splice::min_seg(), protocols::peptide_deriver::PeptideDeriverFilter::minimize(), protocols::simple_moves::PeptideStapleMover::minimize_(), protocols::antibody::design::GeneralAntibodyModeler::minimize_cdrs(), protocols::antibody::design::GeneralAntibodyModeler::minimize_interface(), protocols::flexpep_docking::FlexPepDockingProtocol::minimize_only(), protocols::make_rot_lib::MakeRotLibMover::minimize_rotamer(), protocols::pose_creation::MergePDBMover::pack_and_minimize(), protocols::enzdes::MinimizeStoredRBConfs::rb_minimize_all_confs(), protocols::flexpep_docking::FlexPepDockingProtocol::rigidbody_monte_carlo_minimize(), protocols::carbohydrates::run_shear_min_pack(), protocols::farnesyl::SampleFarnesylMover::sample_farnesyl(), protocols::farnesyl::InstallFarnesylMover::sample_first(), protocols::farnesyl::InstallFarnesylMover::sample_second(), protocols::farnesyl::InstallFarnesylMover::sample_third(), and protocols::flexpep_docking::FlexPepDockingProtocol::torsions_monte_carlo_minimize().

void protocols::minimization_packing::MinMover::apply_dof_tasks_to_movemap ( core::pose::Pose const &  pose,
core::kinematics::MoveMap movemap 
) const
protected

for use with RosettaScripts current method of using TaskOperations to specify residue sets.

restrict the move map by the packer task: If a residue is not designable, the backbone is fixes If a residue is not packable, the sidechain is fixed

WARNING: This is extending the abuse of using task operations for general ResidueSubsets

When TaskOperations replaced with ResidueSetOperations please change this too!

References core::id::BB, dof_tasks_, core::conformation::Residue::is_protein(), core::conformation::Residue::natoms(), omega_, core::id::omega_torsion(), core::id::PHI, core::pose::Pose::residue(), core::pose::Pose::size(), and protocols::minimization_packing::TR().

Referenced by apply().

void protocols::minimization_packing::MinMover::cartesian ( bool  newval)
inline
bool protocols::minimization_packing::MinMover::cartesian ( ) const
inline

References cartesian_.

Referenced by inner_run_minimizer(), and parse_opts().

protocols::moves::MoverOP protocols::minimization_packing::MinMover::clone ( ) const
overridevirtual

Return a clone of the Mover object.

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.

Reimplemented in protocols::minimization_packing::symmetry::SymMinMover.

Referenced by apply().

utility::tag::XMLSchemaComplexTypeGeneratorOP protocols::minimization_packing::MinMover::complex_type_generator_for_min_mover ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::minimization_packing::MinMover::deriv_check ( bool  deriv_check_in)
virtual

References min_options_.

bool protocols::minimization_packing::MinMover::deriv_check ( ) const

References min_options_.

Referenced by show().

core::kinematics::MoveMapCOP protocols::minimization_packing::MinMover::explicitly_set_movemap ( ) const

Get the explicitly set movemap object, if present, nullptr if not Will not create a default or look at the MoveMapFactory.

References movemap_.

protocols::moves::MoverOP protocols::minimization_packing::MinMover::fresh_instance ( ) const
overridevirtual

Generates a new Mover object freshly created with the default ctor.

fresh_instance is meant to return a new object of this class, created with the default constructor. 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. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

Reimplemented in protocols::minimization_packing::symmetry::SymMinMover.

std::string protocols::minimization_packing::MinMover::get_name ( ) const
inlineoverridevirtual

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

Implements protocols::moves::Mover.

Reimplemented in protocols::minimization_packing::symmetry::SymMinMover.

References mover_name().

void protocols::minimization_packing::MinMover::inner_run_minimizer ( core::pose::Pose pose,
core::kinematics::MoveMap const &  active_movemap 
)
private

actual call to the minimizer, in helper function so it can be run multiple times by minimize()

References cartesian(), core::pose::symmetry::is_symmetric(), min_options_, score_after_minimization_, score_before_minimization_, and scorefxn_.

Referenced by minimize().

void protocols::minimization_packing::MinMover::max_iter ( core::Size  max_iter_in)
virtual

References min_options_.

Referenced by parse_opts().

MinimizerOptionsOP protocols::minimization_packing::MinMover::min_options ( )
virtual
MinimizerOptionsCOP protocols::minimization_packing::MinMover::min_options ( ) const
virtual

allow const access to the internal minimizer options object

References min_options_.

void protocols::minimization_packing::MinMover::min_options ( MinimizerOptionsOP  min_options)
virtual

directly set the internal minimizer options object

References min_options(), and min_options_.

Referenced by min_options().

void protocols::minimization_packing::MinMover::min_type ( std::string  min_type_in)
virtual
std::string protocols::minimization_packing::MinMover::min_type ( ) const
void protocols::minimization_packing::MinMover::minimize ( core::pose::Pose pose,
core::kinematics::MoveMap const &  active_movemap 
)
protected

run the minimizer (cartesian or torsion) based on set options, with the final movemap setup. Will call inner_run_minimizer multiple times if abs_score_convergence_threshold is set

References abs_score_convergence_threshold(), abs_score_diff_after_minimization(), inner_run_minimizer(), scorefxn_, and protocols::minimization_packing::TR().

Referenced by apply().

virtual void protocols::minimization_packing::MinMover::movemap ( core::kinematics::MoveMapCOP  movemap_in)
virtual
MoveMapCOP protocols::minimization_packing::MinMover::movemap ( core::pose::Pose const &  pose) const
overridevirtual

Get the movemap for the pose.

This is the preferred version to call.

Implements protocols::moves::MoveMapMover.

References movemap_, and movemap_factory_.

void protocols::minimization_packing::MinMover::movemap_factory ( core::select::movemap::MoveMapFactoryCOP  mmf)
virtual

Sets the MoveMapFactory The MoveMapFactory will be used to construct a MoveMap if an explicit one isn't set.

References movemap_factory_.

Referenced by parse_movemap_factory().

std::string protocols::minimization_packing::MinMover::mover_name ( )
static
void protocols::minimization_packing::MinMover::nb_list ( bool  nb_list_in)
virtual

Indicate whether or not a handful of optimizations regarding the neighbor list should be enabled.

The neighbor list is based on the move map. It includes any atoms that can be moved by the minimizer plus their neighbors. This list is not updated during minimization. All scores for atoms and atom pairs outside the neighbor list are held fixed. All scores for atoms and atom pairs within the list are not cached (usually they would be), since it assumed that they will be changing rapidly. These optimizations are effective when a large number of small moves are being made. You may prefer to enable this option when minimizing in fullatom mode, and to disable it in centroid mode.

Note
I wrote this docstring after I reading through a bunch of code to figure out what this option meant, but I don't have any expertise with the minimizer. So the above represents my understanding of this option, but there could very well be errors or misstatements.
See also
core::scoring::AtomNeighbor

References min_options_.

bool protocols::minimization_packing::MinMover::nb_list ( ) const

Indicate whether or not a handful of optimizations regarding the neighbor list have been enabled.

References min_options_.

Referenced by show().

bool protocols::minimization_packing::MinMover::omega ( ) const
inline

References omega_.

void protocols::minimization_packing::MinMover::omega ( bool const  b)
inline
void protocols::minimization_packing::MinMover::parse_dof_task_type ( std::string const &  tag_name,
core::id::DOF_Type  dof_type,
core::id::TorsionType  torsion_type,
TagCOP  tag,
basic::datacache::DataMap &  data 
)

helper function for parse_of_tasks

References dof_tasks_, and protocols::minimization_packing::TR().

Referenced by parse_dof_tasks().

void protocols::minimization_packing::MinMover::parse_dof_tasks ( TagCOP  tag,
basic::datacache::DataMap &  data 
)
void protocols::minimization_packing::MinMover::parse_movemap_factory ( TagCOP  tag,
basic::datacache::DataMap &  data 
)
void protocols::minimization_packing::MinMover::parse_my_tag ( TagCOP  tag,
basic::datacache::DataMap &  data 
)
overridevirtual

Called by protocols::moves::MoverFactory when constructing new protocols::moves::Movers. Takes care of the specific mover's parsing.

Reimplemented from protocols::moves::Mover.

References parse_dof_tasks(), parse_movemap_factory(), and parse_opts().

void protocols::minimization_packing::MinMover::parse_opts ( TagCOP  tag,
basic::datacache::DataMap &  data_map 
)
void protocols::minimization_packing::MinMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
Real protocols::minimization_packing::MinMover::score_diff_after_minimization ( ) const
void protocols::minimization_packing::MinMover::score_function ( ScoreFunctionCOP  scorefxn_in)
virtual

Sets the ScoreFunction to <scorefxn_in> determines which function to minimize.

example(s): minmover.score_function(scorefxn) See also: MinMover MinMover.apply MinMover.movemap ScoreFunction

References scorefxn_.

Referenced by protocols::backrub::BackrubProtocol::apply().

ScoreFunctionCOP protocols::minimization_packing::MinMover::score_function ( ) const
virtual
void protocols::minimization_packing::MinMover::set_movemap ( core::kinematics::MoveMapCOP  movemap_in)
overridevirtual
void protocols::minimization_packing::MinMover::show ( std::ostream &  output = std::cout) const
overridevirtual

Outputs details about the Mover, including current settings.

Ideally, a child Mover should call Mover.show() and add additional information particular to that Mover.

Reimplemented from protocols::moves::Mover.

References deriv_check(), min_type(), movemap_, nb_list(), score_function(), and tolerance().

Referenced by protocols::minimization_packing::operator<<().

void protocols::minimization_packing::MinMover::tolerance ( Real  tolerance_in)
virtual

References min_options_.

Real protocols::minimization_packing::MinMover::tolerance ( ) const

Member Data Documentation

Real protocols::minimization_packing::MinMover::abs_score_convergence_threshold_
private
bool protocols::minimization_packing::MinMover::cartesian_
private

Referenced by cartesian().

DOF_TaskMap protocols::minimization_packing::MinMover::dof_tasks_
private

Until ResidueSubsetOperations are implemented, RosettaScripts uses TaskOperations as a generic way to specify sets of residues, so it is necessary to have a method of controling a movemap from a set of task operations. This is not suppose to be a general interface for MinMover, so only expose it through the parse_my_tag. Another small complication is that TaskOperations must be defined in the context of a pose, so hang on to it here until the apply. In case MinMover is applied multiple times, to avoid accumulating state, reset the move map to before the task operations were applied at the end of apply.

Referenced by apply_dof_tasks_to_movemap(), and parse_dof_task_type().

MinimizerOptionsOP protocols::minimization_packing::MinMover::min_options_
private
core::kinematics::MoveMapOP protocols::minimization_packing::MinMover::movemap_
private
core::select::movemap::MoveMapFactoryCOP protocols::minimization_packing::MinMover::movemap_factory_
private

Referenced by movemap(), and movemap_factory().

bool protocols::minimization_packing::MinMover::omega_
private
Real protocols::minimization_packing::MinMover::score_after_minimization_
private
Real protocols::minimization_packing::MinMover::score_before_minimization_
private
ScoreFunctionCOP protocols::minimization_packing::MinMover::scorefxn_
private

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