#include <ShakeStructureMover.hh>

Inheritance diagram for protocols::simple_moves::ShakeStructureMover:

Collaboration diagram for protocols::simple_moves::ShakeStructureMover:

Public Member Functions
	ShakeStructureMover ()

	ShakeStructureMover (core::scoring::ScoreFunctionOP s)

	ShakeStructureMover (core::scoring::ScoreFunctionOP s, core::Real temperature)

	ShakeStructureMover (core::scoring::ScoreFunctionOP s, core::Real ens_diversity, core::Real ens_div_tolerance)

virtual	~ShakeStructureMover ()

void	set_skip_low_temp_phase (bool truefalse)

void	set_mc_temperature (core::Real temp)

void	set_nrounds (int new_nrounds)

void	set_ramp_fa_rep (bool truefalse)

void	set_minimize_with_cst (bool truefalse)

void	set_scorefunction (core::scoring::ScoreFunction &s)

void	set_ensemble_diversity (core::Real ca_rmsd)

void	set_rmsd_target_tolerance (core::Real tol)

void	set_sc_min (bool truefalse)

core::Real	get_mc_temperature ()

bool	get_ramp_fa_rep ()

bool	get_minimize_with_cst ()

core::scoring::ScoreFunctionOP	get_scorefunction ()

core::Real	get_ensemble_diversity ()

core::Real	get_rmsd_target_tolerance ()

bool	get_sc_min ()

core::Real	get_harmonic_ca_cst_std_dev ()

core::Real	get_ensemble_ca_rmsd ()

bool	get_skip_low_temp_phase ()

bool	get_min_cst ()

bool	get_testing_phase ()

bool	get_scorefunction_initialized ()

core::scoring::ScoreFunctionOP	get_min_scorefunction ()

core::Size	get_nrounds ()

void	apply (core::pose::Pose &p)

virtual std::string	get_name () const
	Each derived class must specify its name. The class name. More...

Public Member Functions inherited from protocols::moves::Mover
	Mover ()

virtual	~Mover ()

virtual MoverSP	create ()

virtual void	apply (core::io::serialization::PipeMap &pmap)

virtual void	parse_state (SerializableState const &state)

virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache)

virtual void	save_state (SerializableState &state)

	Mover (std::string const &type_name)
	sets the type for a mover; name_ has been removed (2010/05/14) More...

	Mover (Mover const &other)

Mover &	operator= (Mover const &other)
	assignment operator More...

virtual core::Real	last_proposal_density_ratio ()

std::string const &	type () const

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...

void	set_current_tag (std::string const &new_tag)

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

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...

void	type (const std::string &type_in)

virtual MoverOP	clone () const
	clone has to be overridden only if clone invocation is expected. More...

virtual void	parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose)
	Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...

std::string	get_type () const

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...

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 Strings &	info ()
	non-const accessor More...

virtual Strings const &	info () const
	const accessor More...

virtual bool	reinitialize_for_each_job () const
	this function informs 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
	this function informs 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...

virtual MoverOP	fresh_instance () const
	this is like clone(), except it generates a new mover object freshly created with the default ctor. This function should be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage). More...

void	set_current_job (protocols::jobdist::BasicJobCOP job)

jobdist::BasicJobCOP	get_current_job () const

Protected Member Functions
void	set_testing_phase (bool truefalse)

void	set_mc_temp (core::Real temperature)

void	set_is_properly_initialized (bool truefalse)

void	set_min_scorefunction (core::scoring::ScoreFunctionOP scfxn)

core::scoring::ScoreFunction	reduce_fa_rep (float fraction_fa_rep, core::scoring::ScoreFunction &s)

virtual void	setup_for_run (core::pose::Pose &p)

virtual void	minimize_with_constraints (core::pose::Pose &p, core::scoring::ScoreFunction &s)

virtual void	setup_ca_constraints (core::pose::Pose &pose, core::scoring::ScoreFunction &s, float const CA_cutoff, float const cst_tol)

virtual void	run_mc (core::pose::Pose &p, core::scoring::ScoreFunction &s, core::Real temperature)

core::Real	set_temp_based_on_ens_diversity (core::pose::Pose &p, core::scoring::ScoreFunction &s)

void	setup_movers (protocols::simple_moves::SmallMoverOP gsmall, protocols::simple_moves::ShearMoverOP gshear, core::Real small_H_angle_max, core::Real small_E_angle_max, core::Real small_L_angle_max, core::Real shear_H_angle_max, core::Real shear_E_angle_max, core::Real shear_L_angle_max)

void	create_ensemble (core::pose::Pose &p, core::scoring::ScoreFunction &s)

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...

Additional Inherited Members
Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagPtr	TagPtr

typedef core::pose::Pose	Pose

typedef core::pose::PoseCOP	PoseCOP

typedef protocols::filters::Filters_map	Filters_map

typedef std::list< std::string >	Strings

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. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. More...

Detailed Description

Definition at line 40 of file ShakeStructureMover.hh.

Constructor & Destructor Documentation

protocols::simple_moves::ShakeStructureMover::ShakeStructureMover ( )

Definition at line 124 of file ShakeStructureMover.cc.

protocols::simple_moves::ShakeStructureMover::ShakeStructureMover ( core::scoring::ScoreFunctionOP s)

Definition at line 143 of file ShakeStructureMover.cc.

protocols::simple_moves::ShakeStructureMover::ShakeStructureMover	(	core::scoring::ScoreFunctionOP	s,
		core::Real	temperature
	)

Definition at line 162 of file ShakeStructureMover.cc.

protocols::simple_moves::ShakeStructureMover::ShakeStructureMover	(	core::scoring::ScoreFunctionOP	s,
		core::Real	ens_diversity,
		core::Real	ens_div_tolerance
	)

Definition at line 184 of file ShakeStructureMover.cc.

protocols::simple_moves::ShakeStructureMover::~ShakeStructureMover ( )

virtual

Definition at line 206 of file ShakeStructureMover.cc.

Member Function Documentation

void protocols::simple_moves::ShakeStructureMover::apply ( core::pose::Pose & p)

virtual

Implements protocols::moves::Mover.

Definition at line 360 of file ShakeStructureMover.cc.

References create_ensemble(), is_properly_initialized, scorefxn, and setup_for_run().

void protocols::simple_moves::ShakeStructureMover::create_ensemble	(	core::pose::Pose &	p,
		core::scoring::ScoreFunction &	s
	)

protected

Definition at line 632 of file ShakeStructureMover.cc.

References mc_temp, and run_mc().

Referenced by apply().

core::Real protocols::simple_moves::ShakeStructureMover::get_ensemble_ca_rmsd ( )

Definition at line 322 of file ShakeStructureMover.cc.

References ensemble_ca_rmsd.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

core::Real protocols::simple_moves::ShakeStructureMover::get_ensemble_diversity ( )

Definition at line 302 of file ShakeStructureMover.cc.

References ensemble_ca_rmsd.

core::Real protocols::simple_moves::ShakeStructureMover::get_harmonic_ca_cst_std_dev ( )

Definition at line 317 of file ShakeStructureMover.cc.

References harmonic_ca_cst_std_dev.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

core::Real protocols::simple_moves::ShakeStructureMover::get_mc_temperature ( )

Definition at line 281 of file ShakeStructureMover.cc.

References mc_temp.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::get_min_cst ( )

Definition at line 332 of file ShakeStructureMover.cc.

References min_cst.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc(), and protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

core::scoring::ScoreFunctionOP protocols::simple_moves::ShakeStructureMover::get_min_scorefunction ( )

Definition at line 347 of file ShakeStructureMover.cc.

References min_scorefxn.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc().

bool protocols::simple_moves::ShakeStructureMover::get_minimize_with_cst ( )

Definition at line 291 of file ShakeStructureMover.cc.

References min_cst.

std::string protocols::simple_moves::ShakeStructureMover::get_name ( ) const

virtual

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

Implements protocols::moves::Mover.

Reimplemented in protocols::simple_moves::symmetry::SymShakeStructureMover.

Definition at line 379 of file ShakeStructureMover.cc.

core::Size protocols::simple_moves::ShakeStructureMover::get_nrounds ( )

Definition at line 352 of file ShakeStructureMover.cc.

References nrounds.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc().

bool protocols::simple_moves::ShakeStructureMover::get_ramp_fa_rep ( )

Definition at line 286 of file ShakeStructureMover.cc.

References ramp_fa_rep.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::minimize_with_constraints().

core::Real protocols::simple_moves::ShakeStructureMover::get_rmsd_target_tolerance ( )

Definition at line 307 of file ShakeStructureMover.cc.

References ensemble_ca_rmsd_tolerance.

bool protocols::simple_moves::ShakeStructureMover::get_sc_min ( )

Definition at line 312 of file ShakeStructureMover.cc.

References sc_min_only.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::minimize_with_constraints(), and protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

core::scoring::ScoreFunctionOP protocols::simple_moves::ShakeStructureMover::get_scorefunction ( )

Definition at line 297 of file ShakeStructureMover.cc.

References scorefxn.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::get_scorefunction_initialized ( )

Definition at line 342 of file ShakeStructureMover.cc.

References scorefunction_initialized.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::get_skip_low_temp_phase ( )

Definition at line 327 of file ShakeStructureMover.cc.

References skip_low_temp_phase.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc().

bool protocols::simple_moves::ShakeStructureMover::get_testing_phase ( )

Definition at line 337 of file ShakeStructureMover.cc.

References testing_phase.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc().

void protocols::simple_moves::ShakeStructureMover::minimize_with_constraints	(	core::pose::Pose &	p,
		core::scoring::ScoreFunction &	s
	)

protectedvirtual

Reimplemented in protocols::simple_moves::symmetry::SymShakeStructureMover.

Definition at line 425 of file ShakeStructureMover.cc.

References core::optimization::MinimizerOptions::nblist_auto_update(), ramp_fa_rep, reduce_fa_rep(), core::optimization::AtomTreeMinimizer::run(), sc_min_only, core::kinematics::MoveMap::set_bb(), and core::kinematics::MoveMap::set_chi().

Referenced by run_mc().

core::scoring::ScoreFunction protocols::simple_moves::ShakeStructureMover::reduce_fa_rep	(	float	fraction_fa_rep,
		core::scoring::ScoreFunction &	s
	)

protected

Definition at line 384 of file ShakeStructureMover.cc.

References core::scoring::ScoreFunction::get_weight(), core::scoring::score_type_from_name(), and core::scoring::ScoreFunction::set_weight().

Referenced by minimize_with_constraints().

void protocols::simple_moves::ShakeStructureMover::run_mc	(	core::pose::Pose &	p,
		core::scoring::ScoreFunction &	s,
		core::Real	temperature
	)

protectedvirtual

Reimplemented in protocols::simple_moves::symmetry::SymShakeStructureMover.

Definition at line 510 of file ShakeStructureMover.cc.

References core::pose::Pose::constraint_set(), core::init(), min_cst, min_scorefxn, minimize_with_constraints(), nrounds, core::pose::Pose::remove_constraints(), setup_ca_constraints(), setup_movers(), skip_low_temp_phase, testing_phase, and core::pose::Pose::total_residue().

Referenced by create_ensemble(), and set_temp_based_on_ens_diversity().

void protocols::simple_moves::ShakeStructureMover::set_ensemble_diversity ( core::Real ca_rmsd)

Definition at line 241 of file ShakeStructureMover.cc.

References ensemble_ca_rmsd, ensemble_ca_rmsd_tolerance, and mc_temp.

void protocols::simple_moves::ShakeStructureMover::set_is_properly_initialized ( bool truefalse)

protected

Definition at line 270 of file ShakeStructureMover.cc.

References is_properly_initialized.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

void protocols::simple_moves::ShakeStructureMover::set_mc_temp ( core::Real temperature)

protected

Definition at line 265 of file ShakeStructureMover.cc.

References mc_temp.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

void protocols::simple_moves::ShakeStructureMover::set_mc_temperature ( core::Real temp)

Definition at line 214 of file ShakeStructureMover.cc.

References mc_temp.

void protocols::simple_moves::ShakeStructureMover::set_min_scorefunction ( core::scoring::ScoreFunctionOP scfxn)

protected

Definition at line 275 of file ShakeStructureMover.cc.

References min_scorefxn.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

void protocols::simple_moves::ShakeStructureMover::set_minimize_with_cst ( bool truefalse)

Definition at line 230 of file ShakeStructureMover.cc.

References min_cst.

void protocols::simple_moves::ShakeStructureMover::set_nrounds ( int new_nrounds)

Definition at line 219 of file ShakeStructureMover.cc.

References nrounds.

void protocols::simple_moves::ShakeStructureMover::set_ramp_fa_rep ( bool truefalse)

Definition at line 225 of file ShakeStructureMover.cc.

References ramp_fa_rep.

void protocols::simple_moves::ShakeStructureMover::set_rmsd_target_tolerance ( core::Real tol)

Definition at line 249 of file ShakeStructureMover.cc.

References ensemble_ca_rmsd_tolerance.

void protocols::simple_moves::ShakeStructureMover::set_sc_min ( bool truefalse)

Definition at line 254 of file ShakeStructureMover.cc.

References min_cst, and sc_min_only.

void protocols::simple_moves::ShakeStructureMover::set_scorefunction ( core::scoring::ScoreFunction & s)

Definition at line 235 of file ShakeStructureMover.cc.

References scorefunction_initialized, and scorefxn.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

void protocols::simple_moves::ShakeStructureMover::set_skip_low_temp_phase ( bool truefalse)

Definition at line 209 of file ShakeStructureMover.cc.

References skip_low_temp_phase.

core::Real protocols::simple_moves::ShakeStructureMover::set_temp_based_on_ens_diversity	(	core::pose::Pose &	p,
		core::scoring::ScoreFunction &	s
	)

protected

Definition at line 597 of file ShakeStructureMover.cc.

References core::scoring::CA_rmsd(), ensemble_ca_rmsd, ensemble_ca_rmsd_tolerance, core::init(), run_mc(), and testing_phase.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run(), and setup_for_run().

void protocols::simple_moves::ShakeStructureMover::set_testing_phase ( bool truefalse)

protected

Definition at line 260 of file ShakeStructureMover.cc.

References testing_phase.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run().

void protocols::simple_moves::ShakeStructureMover::setup_ca_constraints	(	core::pose::Pose &	pose,
		core::scoring::ScoreFunction &	s,
		float const	CA_cutoff,
		float const	cst_tol
	)

protectedvirtual

Definition at line 459 of file ShakeStructureMover.cc.

References core::conformation::Residue::aa(), core::chemical::aa_vrt, core::pose::Pose::add_constraint(), core::conformation::Residue::atom_index(), core::scoring::atom_pair_constraint, cst_weight, core::pose::Pose::residue(), core::scoring::ScoreFunction::set_weight(), core::pose::Pose::total_residue(), and core::conformation::Residue::xyz().

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc(), run_mc(), protocols::simple_moves::symmetry::SymShakeStructureMover::setup_for_run(), and setup_for_run().

void protocols::simple_moves::ShakeStructureMover::setup_for_run ( core::pose::Pose & p)

protectedvirtual

Reimplemented in protocols::simple_moves::symmetry::SymShakeStructureMover.

Definition at line 392 of file ShakeStructureMover.cc.

References core::scoring::ScoreFunctionFactory::create_score_function(), ensemble_ca_rmsd, harmonic_ca_cst_std_dev, is_properly_initialized, mc_temp, min_cst, min_scorefxn, sc_min_only, core::scoring::score_type_from_name(), scorefunction_initialized, scorefxn, set_temp_based_on_ens_diversity(), setup_ca_constraints(), and testing_phase.

Referenced by apply().

void protocols::simple_moves::ShakeStructureMover::setup_movers	(	protocols::simple_moves::SmallMoverOP	gsmall,
		protocols::simple_moves::ShearMoverOP	gshear,
		core::Real	small_H_angle_max,
		core::Real	small_E_angle_max,
		core::Real	small_L_angle_max,
		core::Real	shear_H_angle_max,
		core::Real	shear_E_angle_max,
		core::Real	shear_L_angle_max
	)

protected

Definition at line 492 of file ShakeStructureMover.cc.

Referenced by protocols::simple_moves::symmetry::SymShakeStructureMover::run_mc(), and run_mc().

Member Data Documentation

double protocols::simple_moves::ShakeStructureMover::cst_weight

private

Definition at line 107 of file ShakeStructureMover.hh.

Referenced by setup_ca_constraints().

core::Real protocols::simple_moves::ShakeStructureMover::ensemble_ca_rmsd

private

Definition at line 100 of file ShakeStructureMover.hh.

Referenced by get_ensemble_ca_rmsd(), get_ensemble_diversity(), set_ensemble_diversity(), set_temp_based_on_ens_diversity(), and setup_for_run().

core::Real protocols::simple_moves::ShakeStructureMover::ensemble_ca_rmsd_tolerance

private

Definition at line 101 of file ShakeStructureMover.hh.

Referenced by get_rmsd_target_tolerance(), set_ensemble_diversity(), set_rmsd_target_tolerance(), and set_temp_based_on_ens_diversity().

core::Real protocols::simple_moves::ShakeStructureMover::harmonic_ca_cst_std_dev

private

Definition at line 103 of file ShakeStructureMover.hh.

Referenced by get_harmonic_ca_cst_std_dev(), and setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::is_properly_initialized

private

Definition at line 102 of file ShakeStructureMover.hh.

Referenced by apply(), set_is_properly_initialized(), and setup_for_run().

core::Real protocols::simple_moves::ShakeStructureMover::mc_temp

private

Definition at line 96 of file ShakeStructureMover.hh.

Referenced by create_ensemble(), get_mc_temperature(), set_ensemble_diversity(), set_mc_temp(), set_mc_temperature(), and setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::min_cst

private

Definition at line 98 of file ShakeStructureMover.hh.

Referenced by get_min_cst(), get_minimize_with_cst(), run_mc(), set_minimize_with_cst(), set_sc_min(), and setup_for_run().

core::scoring::ScoreFunctionOP protocols::simple_moves::ShakeStructureMover::min_scorefxn

private

Definition at line 109 of file ShakeStructureMover.hh.

Referenced by get_min_scorefunction(), run_mc(), set_min_scorefunction(), and setup_for_run().

int protocols::simple_moves::ShakeStructureMover::nrounds

private

Definition at line 106 of file ShakeStructureMover.hh.

Referenced by get_nrounds(), run_mc(), and set_nrounds().

bool protocols::simple_moves::ShakeStructureMover::ramp_fa_rep

private

Definition at line 97 of file ShakeStructureMover.hh.

Referenced by get_ramp_fa_rep(), minimize_with_constraints(), and set_ramp_fa_rep().

bool protocols::simple_moves::ShakeStructureMover::sc_min_only

private

Definition at line 105 of file ShakeStructureMover.hh.

Referenced by get_sc_min(), minimize_with_constraints(), set_sc_min(), and setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::scorefunction_initialized

private

Definition at line 104 of file ShakeStructureMover.hh.

Referenced by get_scorefunction_initialized(), set_scorefunction(), and setup_for_run().

core::scoring::ScoreFunctionOP protocols::simple_moves::ShakeStructureMover::scorefxn

private

Definition at line 99 of file ShakeStructureMover.hh.

Referenced by apply(), get_scorefunction(), set_scorefunction(), and setup_for_run().

bool protocols::simple_moves::ShakeStructureMover::skip_low_temp_phase

private

Definition at line 108 of file ShakeStructureMover.hh.

Referenced by get_skip_low_temp_phase(), run_mc(), and set_skip_low_temp_phase().

bool protocols::simple_moves::ShakeStructureMover::testing_phase

private

Definition at line 111 of file ShakeStructureMover.hh.

Referenced by get_testing_phase(), run_mc(), set_temp_based_on_ens_diversity(), set_testing_phase(), and setup_for_run().

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

src/protocols/simple_moves/ShakeStructureMover.hh
src/protocols/simple_moves/ShakeStructureMover.cc

Private Attributes
core::Real	mc_temp

bool	ramp_fa_rep

bool	min_cst

core::scoring::ScoreFunctionOP	scorefxn

core::Real	ensemble_ca_rmsd

core::Real	ensemble_ca_rmsd_tolerance

bool	is_properly_initialized

core::Real	harmonic_ca_cst_std_dev

bool	scorefunction_initialized

bool	sc_min_only

int	nrounds

double	cst_weight

bool	skip_low_temp_phase

core::scoring::ScoreFunctionOP	min_scorefxn

bool	testing_phase

Public Member Functions

Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation