protocols::simple_filters::RotamerBoltzmannWeight Class Reference

#include <RotamerBoltzmannWeight.hh>

Inheritance diagram for protocols::simple_filters::RotamerBoltzmannWeight:

Collaboration diagram for protocols::simple_filters::RotamerBoltzmannWeight:

Public Member Functions
	RotamerBoltzmannWeight ()
	default ctor More...
virtual bool	apply (core::pose::Pose const &pose) const
	Constructor with a single target residue. More...
virtual void	report (std::ostream &out, core::pose::Pose const &pose) const
virtual core::Real	report_sm (core::pose::Pose const &pose) const
	used to report filter internals through a score or silent file More...
virtual protocols::filters::FilterOP	clone () const
virtual protocols::filters::FilterOP	fresh_instance () const
core::Real	compute (core::pose::Pose const &pose) const
virtual	~RotamerBoltzmannWeight ()
core::pack::task::TaskFactoryOP	task_factory () const
void	task_factory (core::pack::task::TaskFactoryOP task_factory)
void	parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)
void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks)
utility::vector1< core::Size >	first_pass_ala_scan (core::pose::Pose const &pose) const
core::Real	compute_Boltzmann_weight (core::pose::Pose const &pose, core::Size const resi) const
void	rb_jump (core::Size const jump)
core::Size	rb_jump () const
void	sym_dof_names (std::string const dof_names)
std::string	sym_dof_names () const
void	repacking_radius (core::Real const rad)
core::Real	repacking_radius () const
core::Real	ddG_threshold () const
void	ddG_threshold (core::Real const ddG)
void	scorefxn (core::scoring::ScoreFunctionOP scorefxn)
core::scoring::ScoreFunctionOP	scorefxn () const
core::Real	temperature () const
void	temperature (core::Real const temp)
bool	unbound () const
void	unbound (bool const u)
void	threshold_probability (core::chemical::AA const aa_type, core::Real const probability)
core::Real	threshold_probability (core::chemical::AA const aa_type) const
void	energy_reduction_factor (core::Real const factor)
core::Real	energy_reduction_factor () const
core::Real	interface_interaction_energy (core::pose::Pose const &pose, core::Size const res) const
bool	compute_entropy_reduction () const
void	compute_entropy_reduction (bool const cer)
void	repack (bool const repack)
bool	repack () const
bool	skip_ala_scan () const
void	skip_ala_scan (bool const s)
std::string	type () const
void	type (std::string const &s)
bool	write2pdb () const
void	write2pdb (bool const write)
core::Real	compute_modified_ddG (core::pose::Pose const &pose, std::ostream &out) const
	Note that compute( pose ) needs to have been run first. This merely sums over the probabilities. More...
void	write_to_pdb (core::Size const residue, std::string const residue_name, core::Real const boltzmann_weight) const
	Output per-residue Boltzmann weights to the output pdb file if desired. More...
Public Member Functions inherited from protocols::filters::Filter
	Filter ()
	Filter (std::string const &)
	Filter (Filter const &)
virtual	~Filter ()
virtual std::string	get_type () const
std::string	get_user_defined_name () const
void	set_user_defined_name (std::string const &name)
virtual void	clear ()
	used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More...
virtual void	apply (core::io::serialization::PipeMap &pmap)
virtual void	score (core::io::serialization::PipeMap &pmap)
virtual core::Real	score (core::pose::Pose &pose)
virtual std::string	name () const

Private Types
typedef protocols::filters::Filter	parent

Private Attributes
core::pack::task::TaskFactoryOP	task_factory_
core::Size	rb_jump_
std::string	sym_dof_names_
bool	unbound_
core::scoring::ScoreFunctionOP	scorefxn_
core::Real	temperature_
core::Real	ddG_threshold_
core::Real	repacking_radius_
utility::vector1< core::Real >	threshold_probabilities_per_residue_
core::Real	energy_reduction_factor_
bool	compute_entropy_reduction_
bool	repack_
std::map< core::Size, core::Real >	ddGs_
std::map< core::Size, core::Real >	rotamer_probabilities_
std::string	type_
bool	skip_ala_scan_
bool	fast_calc_
bool	no_modified_ddG_
std::string	target_residues_
bool	write2pdb_

Additional Inherited Members
Protected Attributes inherited from protocols::filters::Filter
std::string	scorename_

Detailed Description

Definition at line 37 of file RotamerBoltzmannWeight.hh.

Member Typedef Documentation

typedef protocols::filters::Filter protocols::simple_filters::RotamerBoltzmannWeight::parent

private

Definition at line 40 of file RotamerBoltzmannWeight.hh.

Constructor & Destructor Documentation

protocols::simple_filters::RotamerBoltzmannWeight::RotamerBoltzmannWeight

(

)

default ctor

Definition at line 74 of file RotamerBoltzmannWeight.cc.

References core::chemical::num_canonical_aas, and threshold_probabilities_per_residue_.

Referenced by clone(), protocols::simple_filters::RotamerBoltzmannWeightFilterCreator::create_filter(), and fresh_instance().

protocols::simple_filters::RotamerBoltzmannWeight::~RotamerBoltzmannWeight ( )

virtual

Definition at line 569 of file RotamerBoltzmannWeight.cc.

Member Function Documentation

bool protocols::simple_filters::RotamerBoltzmannWeight::apply ( core::pose::Pose const &  pose) const

virtual

Constructor with a single target residue.

Implements protocols::filters::Filter.

Definition at line 191 of file RotamerBoltzmannWeight.cc.

protocols::filters::FilterOP protocols::simple_filters::RotamerBoltzmannWeight::clone ( ) const

virtual

Implements protocols::filters::Filter.

Definition at line 572 of file RotamerBoltzmannWeight.cc.

References RotamerBoltzmannWeight().

Referenced by parse_def().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::compute

(

core::pose::Pose const &

pose)

const

Definition at line 249 of file RotamerBoltzmannWeight.cc.

References core::chemical::aa_ile, core::chemical::aa_leu, core::chemical::aa_phe, core::chemical::aa_trp, core::chemical::aa_tyr, protocols::toolbox::SelectResiduesByLayer::compute(), compute_Boltzmann_weight(), protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzWeight(), ddGs_, fast_calc_, first_pass_ala_scan(), core::pose::get_resnum_list_ordered(), core::pose::symmetry::get_sym_aware_jump_num(), core::conformation::Residue::name3(), rb_jump(), repacking_radius(), core::pose::Pose::residue(), protocols::toolbox::SelectResiduesByLayer::restrict_aatypes_for_selection(), rotamer_probabilities_, scorefxn(), core::pose::symmetry::sym_dof_jump_num(), sym_dof_names(), target_residues_, temperature(), protocols::swa::translate(), type_, unbound(), write2pdb(), and write_to_pdb().

Referenced by report(), and report_sm().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::compute_Boltzmann_weight	(	core::pose::Pose const &	pose,
		core::Size const	resi
	)		const

Definition at line 316 of file RotamerBoltzmannWeight.cc.

References protocols::simple_filters::ScoreTypeFilter::compute(), protocols::toolbox::task_operations::DesignAroundOperation::design_shell(), core::pose::symmetry::is_symmetric(), core::pose::symmetry::make_symmetric_movemap(), core::pack::make_symmetric_PackerTask_by_truncation(), core::pack::pack_rotamers(), core::pack::task::TaskFactory::push_back(), rb_jump(), repacking_radius(), core::pose::Pose::replace_residue(), core::pose::Pose::residue(), core::pack::task::ResidueLevelTask::restrict_to_repacking(), protocols::filters::Filter::score(), scorefxn(), scorefxn_, temperature(), core::pose::Pose::total_residue(), core::scoring::total_score, and unbound().

Referenced by compute().

bool protocols::simple_filters::RotamerBoltzmannWeight::compute_entropy_reduction

(

)

const

Definition at line 597 of file RotamerBoltzmannWeight.cc.

References compute_entropy_reduction_.

Referenced by parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::compute_entropy_reduction

(

bool const

cer)

Definition at line 602 of file RotamerBoltzmannWeight.cc.

References compute_entropy_reduction_.

core::Real protocols::simple_filters::RotamerBoltzmannWeight::compute_modified_ddG	(	core::pose::Pose const &	pose,
		std::ostream &	out
	)		const

Note that compute( pose ) needs to have been run first. This merely sums over the probabilities.

Definition at line 649 of file RotamerBoltzmannWeight.cc.

References core::conformation::Residue::aa(), protocols::simple_filters::DdgFilter::compute(), ddGs_, energy_reduction_factor(), core::conformation::Residue::name3(), no_modified_ddG_, core::pose::Pose::pdb_info(), rb_jump(), protocols::simple_filters::DdgFilter::repack(), repack(), core::pose::Pose::residue(), rot(), rotamer_probabilities_, scorefxn(), temperature(), and threshold_probability().

Referenced by report(), and report_sm().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::ddG_threshold

(

)

const

Definition at line 405 of file RotamerBoltzmannWeight.cc.

References ddG_threshold_.

Referenced by protocols::protein_interface_design::movers::HotspotDisjointedFoldTreeMover::apply(), first_pass_ala_scan(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::ddG_threshold

(

core::Real const

ddG)

Definition at line 411 of file RotamerBoltzmannWeight.cc.

References ddG_threshold_.

void protocols::simple_filters::RotamerBoltzmannWeight::energy_reduction_factor

(

core::Real const

factor)

Definition at line 119 of file RotamerBoltzmannWeight.cc.

References energy_reduction_factor_.

core::Real protocols::simple_filters::RotamerBoltzmannWeight::energy_reduction_factor

(

)

const

Definition at line 125 of file RotamerBoltzmannWeight.cc.

References energy_reduction_factor_.

Referenced by compute_modified_ddG(), parse_def(), and parse_my_tag().

utility::vector1< core::Size > protocols::simple_filters::RotamerBoltzmannWeight::first_pass_ala_scan

(

core::pose::Pose const &

pose)

const

iterate over all packable residues according to the task factory and for each determine whether it contributes to binding at least ddG_threshold R.e.u. (using alanine scanning This list will later be used to do the Boltzmann weight calculations.

Definition at line 200 of file RotamerBoltzmannWeight.cc.

References protocols::simple_filters::DdgFilter::compute(), protocols::simple_filters::AlaScan::ddG_for_single_residue(), ddG_threshold(), ddGs_, core::conformation::Residue::is_protein(), protocols::simple_filters::AlaScan::jump(), core::conformation::Residue::name3(), rb_jump(), protocols::simple_filters::DdgFilter::repack(), protocols::simple_filters::AlaScan::repack(), repack(), protocols::simple_filters::AlaScan::repeats(), core::pose::Pose::residue(), protocols::simple_filters::AlaScan::scorefxn(), scorefxn(), skip_ala_scan(), task_factory(), and core::pose::Pose::total_residue().

Referenced by protocols::protein_interface_design::movers::HotspotDisjointedFoldTreeMover::apply(), and compute().

protocols::filters::FilterOP protocols::simple_filters::RotamerBoltzmannWeight::fresh_instance ( ) const

virtual

Implements protocols::filters::Filter.

Definition at line 565 of file RotamerBoltzmannWeight.cc.

References RotamerBoltzmannWeight().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::interface_interaction_energy	(	core::pose::Pose const &	pose,
		core::Size const	res
	)		const

Definition at line 431 of file RotamerBoltzmannWeight.cc.

References core::conformation::Residue::chain(), core::graph::Node::const_edge_list_begin(), core::graph::Node::const_edge_list_end(), core::scoring::EnergyEdge::dot(), core::pose::Pose::energies(), core::scoring::Energies::energy_graph(), core::graph::Graph::get_node(), core::pose::Pose::residue(), scorefxn(), and core::scoring::Energies::weights().

void protocols::simple_filters::RotamerBoltzmannWeight::parse_def ( utility::lua::LuaObject const &  def, utility::lua::LuaObject const &  score_fxns, utility::lua::LuaObject const &  tasks  )

virtual

Reimplemented from protocols::filters::Filter.

Definition at line 516 of file RotamerBoltzmannWeight.cc.

References core::chemical::aa_from_name(), clone(), compute_entropy_reduction(), ddG_threshold(), core::sequence::end, energy_reduction_factor(), fast_calc_, no_modified_ddG_, protocols::elscripts::parse_scoredef(), protocols::elscripts::parse_taskdef(), rb_jump(), repack(), repacking_radius(), scorefxn_, skip_ala_scan(), target_residues_, task_factory(), temperature(), threshold_probability(), type_, unbound(), and write2pdb().

void protocols::simple_filters::RotamerBoltzmannWeight::parse_my_tag ( utility::tag::TagPtr const  tag, protocols::moves::DataMap &  data, protocols::filters::Filters_map const &  , protocols::moves::Movers_map const &  , core::pose::Pose const &    )

virtual

Reimplemented from protocols::filters::Filter.

Definition at line 474 of file RotamerBoltzmannWeight.cc.

References core::chemical::aa_from_name(), compute_entropy_reduction(), ddG_threshold(), energy_reduction_factor(), fast_calc_, protocols::moves::DataMap::get(), no_modified_ddG_, protocols::rosetta_scripts::parse_task_operations(), rb_jump(), repack(), repacking_radius(), scorefxn(), skip_ala_scan(), sym_dof_names(), target_residues_, task_factory(), temperature(), threshold_probability(), type_, unbound(), and write2pdb().

void protocols::simple_filters::RotamerBoltzmannWeight::rb_jump

(

core::Size const

jump)

Definition at line 154 of file RotamerBoltzmannWeight.cc.

References rb_jump_.

core::Size protocols::simple_filters::RotamerBoltzmannWeight::rb_jump

(

)

const

Definition at line 161 of file RotamerBoltzmannWeight.cc.

References rb_jump_.

Referenced by compute(), compute_Boltzmann_weight(), compute_modified_ddG(), first_pass_ala_scan(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::repack

(

bool const

repack)

Definition at line 96 of file RotamerBoltzmannWeight.cc.

References repack(), and repack_.

bool protocols::simple_filters::RotamerBoltzmannWeight::repack

(

)

const

Definition at line 101 of file RotamerBoltzmannWeight.cc.

References repack_.

Referenced by compute_modified_ddG(), first_pass_ala_scan(), parse_def(), parse_my_tag(), and repack().

void protocols::simple_filters::RotamerBoltzmannWeight::repacking_radius

(

core::Real const

rad)

Definition at line 179 of file RotamerBoltzmannWeight.cc.

References repacking_radius_.

Referenced by protocols::protein_interface_design::movers::HotspotDisjointedFoldTreeMover::apply().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::repacking_radius

(

)

const

Definition at line 185 of file RotamerBoltzmannWeight.cc.

References repacking_radius_.

Referenced by compute(), compute_Boltzmann_weight(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::report ( std::ostream &  out, core::pose::Pose const &  pose  ) const

virtual

Reimplemented from protocols::filters::Filter.

Definition at line 456 of file RotamerBoltzmannWeight.cc.

References compute(), compute_modified_ddG(), core::conformation::Residue::name3(), no_modified_ddG_, core::pose::Pose::pdb_info(), core::pose::Pose::residue(), rot(), rotamer_probabilities_, and type_.

core::Real protocols::simple_filters::RotamerBoltzmannWeight::report_sm ( core::pose::Pose const &  ) const

virtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

Definition at line 417 of file RotamerBoltzmannWeight.cc.

References compute(), compute_modified_ddG(), no_modified_ddG_, and rotamer_probabilities_.

void protocols::simple_filters::RotamerBoltzmannWeight::scorefxn

(

core::scoring::ScoreFunctionOP

scorefxn)

Definition at line 577 of file RotamerBoltzmannWeight.cc.

References scorefxn(), and scorefxn_.

Referenced by protocols::protein_interface_design::movers::HotspotDisjointedFoldTreeMover::apply().

core::scoring::ScoreFunctionOP protocols::simple_filters::RotamerBoltzmannWeight::scorefxn

(

)

const

Definition at line 582 of file RotamerBoltzmannWeight.cc.

References scorefxn_.

Referenced by compute(), compute_Boltzmann_weight(), compute_modified_ddG(), first_pass_ala_scan(), interface_interaction_energy(), parse_my_tag(), and scorefxn().

bool protocols::simple_filters::RotamerBoltzmannWeight::skip_ala_scan

(

)

const

Definition at line 613 of file RotamerBoltzmannWeight.cc.

References skip_ala_scan_.

Referenced by first_pass_ala_scan(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::skip_ala_scan

(

bool const

s)

Definition at line 619 of file RotamerBoltzmannWeight.cc.

References skip_ala_scan_.

void protocols::simple_filters::RotamerBoltzmannWeight::sym_dof_names

(

std::string const

dof_names)

Definition at line 167 of file RotamerBoltzmannWeight.cc.

References sym_dof_names_.

std::string protocols::simple_filters::RotamerBoltzmannWeight::sym_dof_names

(

)

const

Definition at line 173 of file RotamerBoltzmannWeight.cc.

References sym_dof_names_.

Referenced by compute(), and parse_my_tag().

core::pack::task::TaskFactoryOP protocols::simple_filters::RotamerBoltzmannWeight::task_factory

(

)

const

Definition at line 142 of file RotamerBoltzmannWeight.cc.

References task_factory_.

Referenced by protocols::protein_interface_design::movers::HotspotDisjointedFoldTreeMover::apply(), first_pass_ala_scan(), parse_def(), parse_my_tag(), and task_factory().

void protocols::simple_filters::RotamerBoltzmannWeight::task_factory

(

core::pack::task::TaskFactoryOP

task_factory)

Definition at line 148 of file RotamerBoltzmannWeight.cc.

References task_factory(), and task_factory_.

core::Real protocols::simple_filters::RotamerBoltzmannWeight::temperature

(

)

const

Definition at line 131 of file RotamerBoltzmannWeight.cc.

References temperature_.

Referenced by compute(), compute_Boltzmann_weight(), compute_modified_ddG(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::temperature

(

core::Real const

temp)

Definition at line 136 of file RotamerBoltzmannWeight.cc.

References temperature_.

void protocols::simple_filters::RotamerBoltzmannWeight::threshold_probability	(	core::chemical::AA const	aa_type,
		core::Real const	probability
	)

Definition at line 107 of file RotamerBoltzmannWeight.cc.

References threshold_probabilities_per_residue_.

Referenced by compute_modified_ddG(), parse_def(), and parse_my_tag().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::threshold_probability

(

core::chemical::AA const

aa_type)

const

Definition at line 113 of file RotamerBoltzmannWeight.cc.

References threshold_probabilities_per_residue_.

std::string protocols::simple_filters::RotamerBoltzmannWeight::type

(

)

const

Definition at line 625 of file RotamerBoltzmannWeight.cc.

References type_.

void protocols::simple_filters::RotamerBoltzmannWeight::type

(

std::string const &

s)

Definition at line 631 of file RotamerBoltzmannWeight.cc.

References type_.

bool protocols::simple_filters::RotamerBoltzmannWeight::unbound

(

)

const

Definition at line 587 of file RotamerBoltzmannWeight.cc.

References unbound_.

Referenced by compute(), compute_Boltzmann_weight(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::unbound

(

bool const

u)

Definition at line 592 of file RotamerBoltzmannWeight.cc.

References unbound_.

bool protocols::simple_filters::RotamerBoltzmannWeight::write2pdb

(

)

const

Definition at line 637 of file RotamerBoltzmannWeight.cc.

References write2pdb_.

Referenced by compute(), parse_def(), and parse_my_tag().

void protocols::simple_filters::RotamerBoltzmannWeight::write2pdb

(

bool const

write)

Definition at line 643 of file RotamerBoltzmannWeight.cc.

References write2pdb_.

void protocols::simple_filters::RotamerBoltzmannWeight::write_to_pdb	(	core::Size const	residue,
		std::string const	residue_name,
		core::Real const	boltzmann_weight
	)		const

Output per-residue Boltzmann weights to the output pdb file if desired.

Definition at line 554 of file RotamerBoltzmannWeight.cc.

References protocols::nonlocal::current_job(), protocols::jd2::JobDistributor::get_instance(), and protocols::filters::Filter::get_user_defined_name().

Referenced by compute().

Member Data Documentation

bool protocols::simple_filters::RotamerBoltzmannWeight::compute_entropy_reduction_

private

Definition at line 108 of file RotamerBoltzmannWeight.hh.

Referenced by compute_entropy_reduction().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::ddG_threshold_

private

Definition at line 103 of file RotamerBoltzmannWeight.hh.

Referenced by ddG_threshold().

std::map< core::Size, core::Real > protocols::simple_filters::RotamerBoltzmannWeight::ddGs_

mutableprivate

the following are mutable b/c they only sum up data in the filter. They do not affect how the filter is run (so the filter will remain logically constant, despite these variables) Mutability here allows the variables to be changed even in const methods.

Definition at line 113 of file RotamerBoltzmannWeight.hh.

Referenced by compute(), compute_modified_ddG(), and first_pass_ala_scan().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::energy_reduction_factor_

private

Definition at line 106 of file RotamerBoltzmannWeight.hh.

Referenced by energy_reduction_factor().

bool protocols::simple_filters::RotamerBoltzmannWeight::fast_calc_

private

Definition at line 117 of file RotamerBoltzmannWeight.hh.

Referenced by compute(), parse_def(), and parse_my_tag().

bool protocols::simple_filters::RotamerBoltzmannWeight::no_modified_ddG_

private

Definition at line 118 of file RotamerBoltzmannWeight.hh.

Referenced by compute_modified_ddG(), parse_def(), parse_my_tag(), report(), and report_sm().

core::Size protocols::simple_filters::RotamerBoltzmannWeight::rb_jump_

private

Definition at line 98 of file RotamerBoltzmannWeight.hh.

Referenced by rb_jump().

bool protocols::simple_filters::RotamerBoltzmannWeight::repack_

private

Definition at line 109 of file RotamerBoltzmannWeight.hh.

Referenced by repack().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::repacking_radius_

private

Definition at line 104 of file RotamerBoltzmannWeight.hh.

Referenced by repacking_radius().

std::map< core::Size, core::Real > protocols::simple_filters::RotamerBoltzmannWeight::rotamer_probabilities_

mutableprivate

Definition at line 114 of file RotamerBoltzmannWeight.hh.

Referenced by compute(), compute_modified_ddG(), report(), and report_sm().

core::scoring::ScoreFunctionOP protocols::simple_filters::RotamerBoltzmannWeight::scorefxn_

private

Definition at line 101 of file RotamerBoltzmannWeight.hh.

Referenced by compute_Boltzmann_weight(), parse_def(), and scorefxn().

bool protocols::simple_filters::RotamerBoltzmannWeight::skip_ala_scan_

private

Definition at line 116 of file RotamerBoltzmannWeight.hh.

Referenced by skip_ala_scan().

std::string protocols::simple_filters::RotamerBoltzmannWeight::sym_dof_names_

private

Definition at line 99 of file RotamerBoltzmannWeight.hh.

Referenced by sym_dof_names().

std::string protocols::simple_filters::RotamerBoltzmannWeight::target_residues_

private

Definition at line 119 of file RotamerBoltzmannWeight.hh.

Referenced by compute(), parse_def(), and parse_my_tag().

core::pack::task::TaskFactoryOP protocols::simple_filters::RotamerBoltzmannWeight::task_factory_

private

Definition at line 97 of file RotamerBoltzmannWeight.hh.

Referenced by task_factory().

core::Real protocols::simple_filters::RotamerBoltzmannWeight::temperature_

private

Definition at line 102 of file RotamerBoltzmannWeight.hh.

Referenced by temperature().

utility::vector1< core::Real > protocols::simple_filters::RotamerBoltzmannWeight::threshold_probabilities_per_residue_

private

Definition at line 105 of file RotamerBoltzmannWeight.hh.

Referenced by RotamerBoltzmannWeight(), and threshold_probability().

std::string protocols::simple_filters::RotamerBoltzmannWeight::type_

private

Definition at line 115 of file RotamerBoltzmannWeight.hh.

Referenced by compute(), parse_def(), parse_my_tag(), report(), and type().

bool protocols::simple_filters::RotamerBoltzmannWeight::unbound_

private

Definition at line 100 of file RotamerBoltzmannWeight.hh.

Referenced by unbound().

bool protocols::simple_filters::RotamerBoltzmannWeight::write2pdb_

private

Definition at line 120 of file RotamerBoltzmannWeight.hh.

Referenced by write2pdb().

---

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

• src/protocols/simple_filters/RotamerBoltzmannWeight.hh
• src/protocols/simple_filters/RotamerBoltzmannWeight.cc