protocols::denovo_design::components::PoseFolder Class Reference

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:

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_Fold

if 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

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

Referenced by protocols::denovo_design::movers::FoldArchitectMover::set_folder().

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

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

Referenced by parse_my_tag().

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

(

)

const

References type_.

Referenced by protocols::denovo_design::components::RemodelLoopMoverPoseFolder::apply().

Member Data Documentation

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

private

Referenced by type().

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

• src/protocols/denovo_design/components/PoseFolder.hh
• src/protocols/denovo_design/components/PoseFolder.cc