protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator Class Reference

A class to generate ParsedProtocols for the final full-atom refinement step. More...

#include <HBP_FinalFullatomRefinementMoveGenerator.hh>

Inheritance diagram for protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator:

Public Member Functions
	HBP_FinalFullatomRefinementMoveGenerator ()=delete
	Default constructor is explicitly deleted. More...
	HBP_FinalFullatomRefinementMoveGenerator (core::Size const fast_relax_rounds, bool const find_disulfides, core::scoring::ScoreFunctionCOP sfxn_in)
	Options constructor. More...
	HBP_FinalFullatomRefinementMoveGenerator (HBP_FinalFullatomRefinementMoveGenerator const &src)
	Copy constructor. More...
	~HBP_FinalFullatomRefinementMoveGenerator () override
	Destructor. More...
HBP_MoveGeneratorOP	clone () const override
	Clone this object: that is, make a copy and return an owning pointer to the copy. More...
protocols::rosetta_scripts::ParsedProtocolOP	generate_monte_carlo_move (core::Size const current_step, core::Size const num_steps, core::pose::Pose const &pose) const override
	Given the current step index, the total number of steps in the trajectory, and the pose for analysis, construct a ParsedProtocol of things to do to this pose for this move in the Monte Carlo trajectory. More...
Public Member Functions inherited from protocols::helical_bundle_predict::HBP_MoveGenerator
	HBP_MoveGenerator ()
	Constructor. More...
	HBP_MoveGenerator (HBP_MoveGenerator const &src)
	Copy constructor. More...
	~HBP_MoveGenerator () override
	Destructor. More...
virtual void	mark_move_accepted () const
	Does nothing in base class. Can be overridden in derived classes to do something more useful when a move is accepted. More...
virtual void	mark_move_rejected () const
	Does nothing in base class. Can be overridden in derived classes to do something more useful when a move is rejected. More...
void	set_current_round (core::Size const setting)
	Set the current round. More...
void	set_max_rounds (core::Size const setting)
	Set the total nunmber of rounds. More...
core::Size	current_round () const
	Get the current round. More...
core::Size	max_rounds () const
	Get the maximum number of rounds. More...

Private Attributes
core::Size	fast_relax_rounds_
	Number of FastRelax rounds to perform. More...
bool	find_disulfides_
	Should we try disulfide permutations first? More...
core::scoring::ScoreFunctionOP	sfxn_
	The fullatom scorefunction used by FastRelax. More...

Detailed Description

A class to generate ParsedProtocols for the final full-atom refinement step.

Author

Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org).

Constructor & Destructor Documentation

protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::HBP_FinalFullatomRefinementMoveGenerator ( )

delete

Default constructor is explicitly deleted.

protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::HBP_FinalFullatomRefinementMoveGenerator	(	core::Size const	fast_relax_rounds,
		bool const	find_disulfides,
		core::scoring::ScoreFunctionCOP	sfxn_in
	)

Options constructor.

The provided scorefunction is cloned.

References sfxn_.

protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::HBP_FinalFullatomRefinementMoveGenerator

(

HBP_FinalFullatomRefinementMoveGenerator const &

src

)

Copy constructor.

References fast_relax_rounds_, and sfxn_.

protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::~HBP_FinalFullatomRefinementMoveGenerator ( )

override

Destructor.

Member Function Documentation

HBP_MoveGeneratorOP protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::clone ( ) const

overridevirtual

Clone this object: that is, make a copy and return an owning pointer to the copy.

Implements protocols::helical_bundle_predict::HBP_MoveGenerator.

protocols::rosetta_scripts::ParsedProtocolOP protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::generate_monte_carlo_move ( core::Size const  current_step, core::Size const  num_steps, core::pose::Pose const &  pose  ) const

overridevirtual

Given the current step index, the total number of steps in the trajectory, and the pose for analysis, construct a ParsedProtocol of things to do to this pose for this move in the Monte Carlo trajectory.

Pure virtual. Must be implemented by derived classes.

Implements protocols::helical_bundle_predict::HBP_MoveGenerator.

References fast_relax_rounds_, find_disulfides_, protocols::antibody::design::relax, and sfxn_.

Member Data Documentation

core::Size protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::fast_relax_rounds_

private

Number of FastRelax rounds to perform.

Referenced by generate_monte_carlo_move(), and HBP_FinalFullatomRefinementMoveGenerator().

bool protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::find_disulfides_

private

Should we try disulfide permutations first?

Referenced by generate_monte_carlo_move().

core::scoring::ScoreFunctionOP protocols::helical_bundle_predict::HBP_FinalFullatomRefinementMoveGenerator::sfxn_

private

The fullatom scorefunction used by FastRelax.

Referenced by generate_monte_carlo_move(), and HBP_FinalFullatomRefinementMoveGenerator().

---

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

• src/protocols/helical_bundle_predict/HBP_FinalFullatomRefinementMoveGenerator.hh
• src/protocols/helical_bundle_predict/HBP_FinalFullatomRefinementMoveGenerator.cc