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protocols::denovo_design::components::RemodelLoopMoverPoseFolder Class Reference

Folds residues in a pose using RemodelLoopMover. More...

#include <RemodelLoopMoverPoseFolder.hh>

Inheritance diagram for protocols::denovo_design::components::RemodelLoopMoverPoseFolder:
Inheritance graph
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Public Types

typedef
protocols::denovo_design::components::PoseFolder 
PoseFolder
 
typedef
protocols::denovo_design::components::PoseFolderOP 
PoseFolderOP
 

Public Member Functions

 RemodelLoopMoverPoseFolder ()
 
 ~RemodelLoopMoverPoseFolder () override
 
PoseFolderOP clone () const override
 
void apply (core::pose::Pose &pose, core::select::residue_selector::ResidueSubset const &movable, protocols::loops::Loops const &loops) const override
 performs folding More...
 
void set_scorefxn (core::scoring::ScoreFunction const &sfxn)
 
- Public Member Functions inherited from protocols::denovo_design::components::PoseFolder
 PoseFolder (std::string const &type)
 Default constructor. More...
 
 ~PoseFolder () override
 Destructor. More...
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data)
 
std::string const & type () const
 

Static Public Member Functions

static std::string class_name ()
 
static
core::scoring::ScoreFunctionOP 
default_score_function ()
 

Protected Member Functions

void parse_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override
 

Private Member Functions

void remove_cutpoints (StructureData &sd, protocols::loops::Loops const &loops) const
 
protocols::moves::MoverOP create_remodel_loop_mover (core::pose::Pose const &pose, StructureData const &sd, core::select::residue_selector::ResidueSubset const &movable, protocols::loops::Loops const &loops) const
 
core::kinematics::MoveMapOP create_false_movemap (core::pose::Pose const &pose, core::select::residue_selector::ResidueSubset const &movable) const
 
core::scoring::ScoreFunctionOP create_scorefxn (core::pose::Pose const &pose) const
 

Private Attributes

core::scoring::ScoreFunctionCOP scorefxn_
 

Detailed Description

Folds residues in a pose using RemodelLoopMover.

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::denovo_design::components::RemodelLoopMoverPoseFolder::RemodelLoopMoverPoseFolder ( )
protocols::denovo_design::components::RemodelLoopMoverPoseFolder::~RemodelLoopMoverPoseFolder ( )
overridedefault

Member Function Documentation

void protocols::denovo_design::components::RemodelLoopMoverPoseFolder::apply ( core::pose::Pose pose,
core::select::residue_selector::ResidueSubset const &  movable,
protocols::loops::Loops const &  loops 
) const
overridevirtual

performs folding

Parameters
pose- The pose to be folded, with all residues added. The pose should be prepared with any necessary cutpoints added before giving to the PoseFolder. Torsions in the pose should be adjusted, and no residues should be added or removed.
movable- Subset of residues for which new backbone conformations will be sampled. Residues specified as 'True' in movable must also be present in one or more Loops in order to be folded. Movable's size must match pose.size()
loops- Loops to be folded. Cutpoints specified here must be match the cutpoints found in the pose. Residues not within any loop should not be folded. Residues contained in a loop but not in the movable set should not be folded.
Exceptions
EXCN_Foldif anything goes wrong in folding. Derived classes should throw this.

Implements protocols::denovo_design::components::PoseFolder.

References create_remodel_loop_mover(), core::pose::Pose::fold_tree(), protocols::moves::MS_SUCCESS, remove_cutpoints(), protocols::TR(), and protocols::denovo_design::components::PoseFolder::type().

std::string protocols::denovo_design::components::RemodelLoopMoverPoseFolder::class_name ( )
static
RemodelLoopMoverPoseFolder::PoseFolderOP protocols::denovo_design::components::RemodelLoopMoverPoseFolder::clone ( ) const
overridevirtual
core::kinematics::MoveMapOP protocols::denovo_design::components::RemodelLoopMoverPoseFolder::create_false_movemap ( core::pose::Pose const &  pose,
core::select::residue_selector::ResidueSubset const &  movable 
) const
private
protocols::moves::MoverOP protocols::denovo_design::components::RemodelLoopMoverPoseFolder::create_remodel_loop_mover ( core::pose::Pose const &  pose,
StructureData const &  sd,
core::select::residue_selector::ResidueSubset const &  movable,
protocols::loops::Loops const &  loops 
) const
private
core::scoring::ScoreFunctionOP protocols::denovo_design::components::RemodelLoopMoverPoseFolder::create_scorefxn ( core::pose::Pose const &  pose) const
private
core::scoring::ScoreFunctionOP protocols::denovo_design::components::RemodelLoopMoverPoseFolder::default_score_function ( )
static
void protocols::denovo_design::components::RemodelLoopMoverPoseFolder::parse_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overrideprotectedvirtual
void protocols::denovo_design::components::RemodelLoopMoverPoseFolder::remove_cutpoints ( StructureData sd,
protocols::loops::Loops const &  loops 
) const
private
void protocols::denovo_design::components::RemodelLoopMoverPoseFolder::set_scorefxn ( core::scoring::ScoreFunction const &  sfxn)

Member Data Documentation

core::scoring::ScoreFunctionCOP protocols::denovo_design::components::RemodelLoopMoverPoseFolder::scorefxn_
private

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