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protocols::denovo_design::components::PoseFolder Class Referenceabstract

Given a pose with all residues, and a StructureData object, assign a 3D conformation to the pose. More...

#include <PoseFolder.hh>

Inheritance diagram for protocols::denovo_design::components::PoseFolder:
Inheritance graph
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Public Member Functions

 PoseFolder (std::string const &type)
 Default constructor. More...
 
 ~PoseFolder () override
 Destructor. More...
 
virtual PoseFolderOP clone () const =0
 
virtual void apply (core::pose::Pose &pose, core::select::residue_selector::ResidueSubset const &movable, protocols::loops::Loops const &loops) const =0
 performs folding More...
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data)
 
std::string const & type () const
 

Protected Member Functions

virtual void parse_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data)=0
 

Private Member Functions

 PoseFolder ()
 Prevent direct instantiation: No other constructors allowed. More...
 

Private Attributes

std::string type_
 

Detailed Description

Given a pose with all residues, and a StructureData object, assign a 3D conformation to the pose.

Constructor & Destructor Documentation

protocols::denovo_design::components::PoseFolder::PoseFolder ( std::string const &  type)

Default constructor.

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

Destructor.

protocols::denovo_design::components::PoseFolder::PoseFolder ( )
inlineprivate

Prevent direct instantiation: No other constructors allowed.

Member Function Documentation

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

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.

Implemented in protocols::denovo_design::components::RemodelLoopMoverPoseFolder, protocols::denovo_design::components::NullPoseFolder, and protocols::denovo_design::components::RandomTorsionPoseFolder.

virtual PoseFolderOP protocols::denovo_design::components::PoseFolder::clone ( ) const
pure virtual
void protocols::denovo_design::components::PoseFolder::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)

References parse_tag().

virtual void protocols::denovo_design::components::PoseFolder::parse_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
protectedpure virtual
std::string const & protocols::denovo_design::components::PoseFolder::type ( ) const

Member Data Documentation

std::string protocols::denovo_design::components::PoseFolder::type_
private

Referenced by type().


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