#include <FlxbbDesign.hh>

Inheritance diagram for protocols::flxbb::FlxbbDesign:

[legend]

Public Types
typedef protocols::moves::Mover	Super

typedef std::string	String

typedef core::Size	Size

typedef core::Real	Real

typedef core::kinematics::MoveMapOP	MoveMapOP

typedef core::pose::Pose	Pose

typedef core::scoring::ScoreFunction	ScoreFunction

typedef core::scoring::ScoreFunctionOP	ScoreFunctionOP

typedef core::pack::task::operation::TaskOperation	TaskOperation

typedef core::pack::task::operation::TaskOperationOP	TaskOperationOP

typedef protocols::moves::MoverOP	MoverOP

typedef protocols::parser::BluePrint	BluePrint

typedef protocols::parser::BluePrintOP	BluePrintOP

typedef protocols::flxbb::DesignTaskOP	DesignTaskOP

typedef protocols::flxbb::DesignTaskSet	DesignTaskSet

typedef utility::tag::TagCOP	TagCOP

typedef basic::datacache::DataMap	DataMap

Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP	TagCOP

typedef core::pose::Pose	Pose

typedef core::pose::PoseCOP	PoseCOP

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

Public Member Functions
	FlxbbDesign ()
	default constructor More...

	FlxbbDesign (ScoreFunctionOP const sfxnd, ScoreFunctionOP const sfxnr, core::Size const ncycle=3, String const &layer_mode="", bool const use_origseq_for_not_dsgned_layer=true, bool const no_relax=false)
	value constructor More...

	FlxbbDesign (FlxbbDesign const &rval)
	copy constructor More...

	~FlxbbDesign () override
	destructor More...

MoverOP	clone () const override
	clone this object More...

MoverOP	fresh_instance () const override
	create this type of object More...

void	read_options ()
	read parameters More...

void	initialize_filter (core::Size const filter_trial, String const &filter_type)
	initialize filter parameters More...

void	apply (Pose &pose) override
	mover apply More...

void	set_scorefxn_design (ScoreFunctionOP const scorefxn)
	set the score function for fixbb design More...

void	set_scorefxn_relax (ScoreFunctionOP const scorefxn)
	set the score function for relax More...

void	set_ncycles (core::Size const ncycles)
	the number of cycles of fixbb and relax More...

void	set_layer_mode (String const &layer_mode)
	set layer mode More...

void	use_origseq_for_not_dsgned_layer (bool const use)
	use original sequence for not designed region in layer_mode, otherwise the residues of the region turned into Ala ( default true ) More...

void	no_relax (bool const no_relax)
	relax is not performed after design (default false) More...

void	no_design (bool const no_design)
	design protocol will not be performed (default false) More...

void	set_blueprint (BluePrintOP const blueprint)
	set BluePrintOP More...

void	set_weight_constraints_sheet (Real const value)
	set weight of constraints_sheet which constrains between Ca atoms in beta-sheets if this weight > 0.0, the constraints is applied ( default = -1.0 ) More...

void	set_weight_constraints_NtoC (Real const value)
	set weight of constraints_NtoC which constrain between Ca atoms of C- and N-terminal if this weight > 0.0, the constraints is applied ( default = -1.0 ) More...

void	movemap_from_blueprint (bool const value)
	set movemap for relax More...

void	set_movemap_factory (core::select::movemap::MoveMapFactoryCOP movemap_factory)
	set movemapi_factory for relax More...

void	set_movemap (MoveMapOP const movemap)
	set movemap for relax More...

void	set_design_taskset (DesignTaskSet const &design_taskset)
	set DesignTaskSet Once you set DesignTaskSet, this controls almost every setups of this class More...

void	add_design_task (DesignTaskOP const design_task)
	add the design task which cotrols the iteration of fixbb design and relax More...

void	set_filter_during_design (FilterStructsOP const filter_during_design)
	filtering during design More...

void	clear_design_taskset ()
	clear DesignTaskSet More...

void	parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) override
	parse xml More...

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

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

virtual MoverOP	create ()

MoverCOP	get_self_ptr () const

MoverOP	get_self_ptr ()

MoverCAP	get_self_weak_ptr () const

MoverAP	get_self_weak_ptr ()

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

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...

virtual bool	reinitialize_for_each_job () const
	Inform 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
	Inform 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...

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...

void	set_type (std::string const &setting)
	Set the 'type' string. More...

std::string	get_type () const

void	type (const std::string &type_in)
	Set the 'type' string. More...

std::string const &	type () const
	Get the set 'type' string. More...

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

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

jobdist::BasicJobCOP	get_current_job () const

virtual void	set_current_tag (std::string const &new_tag)

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...

virtual void	show (std::ostream &output=std::cout) const
	Outputs details about the Mover, including current settings. More...

virtual core::Real	last_proposal_density_ratio ()

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 void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const
	Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Static Public Member Functions
static void	register_options ()
	register options More...

static std::string	mover_name ()

static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

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. More...

Private Member Functions
DesignTaskSet	build_design_taskset (Pose const &pose)
	build design_task_set More...

MoveMapOP	get_movemap_from_blueprint (Pose const &pose, BluePrintOP const blueprint)
	make movemap from blueprint for relax More...

Private Attributes
ScoreFunctionOP	scorefxn_design_
	score function for design More...

ScoreFunctionOP	scorefxn_relax_
	score function for relax More...

core::Size	nflxbb_cycles_
	the number of cycles of fixbb and relax More...

String	layer_mode_
	perform fixbb in layer mode More...

bool	use_origseq_for_not_dsgned_layer_
	use original sequence for not designed region in layer_mode, otherwise the residues of the region turned into Ala More...

bool	no_relax_
	relax is not performed after design (default false) More...

bool	no_design_
	design protocol will not be performed (default false) More...

DesignTaskSet	design_taskset_
	control the method of design with filter and relax More...

FilterStructsOP	filter_during_design_
	filter during design More...

BluePrintOP	blueprint_
	blueprint for setting up constraints of beta sheet More...

String	resfile_
	resfile More...

Real	constraints_sheet_
	weight of constraints_sheet which constrains between Ca atoms in beta-sheets if this weight > 0.0, the constraints is applied ( default = -1.0 ) More...

Real	constraints_NtoC_
	weight of constraints_NtoC which constrains between Ca atoms of C- and N-terminal if this weight > 0.0, the constraints is applied ( default = -1.0 ) More...

bool	movemap_from_blueprint_
	set movemap from blueprint ( default false ) More...

core::select::movemap::MoveMapFactoryCOP	movemap_factory_
	movemap Factory for relax ( default NULL ) More...

MoveMapOP	movemap_
	movemap for relax ( default NULL ) More...

utility::vector1< TaskOperationOP >	task_operations_
	task operations More...

bool	use_fast_relax_
	use fast relax or not More...

bool	clear_all_residues_
	clear all residues before design More...

bool	relax_constraint_to_design_

bool	limit_aroma_chi2_

Additional Inherited Members
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...

Member Typedef Documentation

◆ BluePrint

typedef protocols::parser::BluePrint protocols::flxbb::FlxbbDesign::BluePrint

◆ BluePrintOP

typedef protocols::parser::BluePrintOP protocols::flxbb::FlxbbDesign::BluePrintOP

◆ DataMap

typedef basic::datacache::DataMap protocols::flxbb::FlxbbDesign::DataMap

◆ DesignTaskOP

typedef protocols::flxbb::DesignTaskOP protocols::flxbb::FlxbbDesign::DesignTaskOP

◆ DesignTaskSet

typedef protocols::flxbb::DesignTaskSet protocols::flxbb::FlxbbDesign::DesignTaskSet

◆ MoveMapOP

typedef core::kinematics::MoveMapOP protocols::flxbb::FlxbbDesign::MoveMapOP

◆ MoverOP

typedef protocols::moves::MoverOP protocols::flxbb::FlxbbDesign::MoverOP

◆ Pose

typedef core::pose::Pose protocols::flxbb::FlxbbDesign::Pose

◆ Real

typedef core::Real protocols::flxbb::FlxbbDesign::Real

◆ ScoreFunction

typedef core::scoring::ScoreFunction protocols::flxbb::FlxbbDesign::ScoreFunction

◆ ScoreFunctionOP

typedef core::scoring::ScoreFunctionOP protocols::flxbb::FlxbbDesign::ScoreFunctionOP

◆ Size

typedef core::Size protocols::flxbb::FlxbbDesign::Size

◆ String

typedef std::string protocols::flxbb::FlxbbDesign::String

◆ Super

typedef protocols::moves::Mover protocols::flxbb::FlxbbDesign::Super

◆ TagCOP

typedef utility::tag::TagCOP protocols::flxbb::FlxbbDesign::TagCOP

◆ TaskOperation

typedef core::pack::task::operation::TaskOperation protocols::flxbb::FlxbbDesign::TaskOperation

◆ TaskOperationOP

typedef core::pack::task::operation::TaskOperationOP protocols::flxbb::FlxbbDesign::TaskOperationOP

Constructor & Destructor Documentation

◆ FlxbbDesign() [1/3]

protocols::flxbb::FlxbbDesign::FlxbbDesign ( )

default constructor

References design_taskset_, read_options(), and task_operations_.

◆ FlxbbDesign() [2/3]

protocols::flxbb::FlxbbDesign::FlxbbDesign	(	ScoreFunctionOP const	sfxnd,
		ScoreFunctionOP const	sfxnr,
		core::Size const	ncycle = `3`,
		String const &	layer_mode = `""`,
		bool const	use_origseq_for_not_dsgned_layer = `true`,
		bool const	no_relax = `false`
	)

value constructor

References design_taskset_, read_options(), and task_operations_.

◆ FlxbbDesign() [3/3]

protocols::flxbb::FlxbbDesign::FlxbbDesign ( FlxbbDesign const & rval )

default

copy constructor

◆ ~FlxbbDesign()

protocols::flxbb::FlxbbDesign::~FlxbbDesign ( )

overridedefault

destructor

Member Function Documentation

◆ add_design_task()

void protocols::flxbb::FlxbbDesign::add_design_task ( DesignTaskOP const design_task )

add the design task which cotrols the iteration of fixbb design and relax

set DesignTask

References design_taskset_.

◆ apply()

void protocols::flxbb::FlxbbDesign::apply ( pose::Pose & pose )

overridevirtual

◆ build_design_taskset()

DesignTaskSet protocols::flxbb::FlxbbDesign::build_design_taskset ( Pose const & pose )

private

build design_task_set

References filter_during_design_, layer_mode_, limit_aroma_chi2_, movemap_, movemap_factory_, nflxbb_cycles_, relax_constraint_to_design_, resfile_, scorefxn_design_, scorefxn_relax_, core::scoring::surface, task_operations_, protocols::TR(), use_fast_relax_, and use_origseq_for_not_dsgned_layer_.

Referenced by apply().

◆ clear_design_taskset()

void protocols::flxbb::FlxbbDesign::clear_design_taskset ( )

clear DesignTaskSet

References design_taskset_.

◆ clone()

FlxbbDesign::MoverOP protocols::flxbb::FlxbbDesign::clone ( ) const

overridevirtual

clone this object

Reimplemented from protocols::moves::Mover.

◆ fresh_instance()

FlxbbDesign::MoverOP protocols::flxbb::FlxbbDesign::fresh_instance ( ) const

overridevirtual

create this type of object

Reimplemented from protocols::moves::Mover.

◆ get_movemap_from_blueprint()

MoveMapOP protocols::flxbb::FlxbbDesign::get_movemap_from_blueprint	(	Pose const &	pose,
		BluePrintOP const	blueprint
	)

private

make movemap from blueprint for relax

◆ get_name()

std::string protocols::flxbb::FlxbbDesign::get_name ( ) const

overridevirtual

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

Implements protocols::moves::Mover.

References mover_name().

◆ initialize_filter()

void protocols::flxbb::FlxbbDesign::initialize_filter	(	core::Size const	filter_trial,
		String const &	filter_type
	)

initialize filter parameters

References filter_during_design_, and protocols::TR().

Referenced by parse_my_tag(), and read_options().

◆ movemap_from_blueprint()

void protocols::flxbb::FlxbbDesign::movemap_from_blueprint ( bool const value )

set movemap for relax

References movemap_from_blueprint_.

◆ mover_name()

std::string protocols::flxbb::FlxbbDesign::mover_name ( )

static

Referenced by get_name(), protocols::flxbb::FlxbbDesignCreator::keyname(), and provide_xml_schema().

◆ no_design()

void protocols::flxbb::FlxbbDesign::no_design ( bool const no_design )

design protocol will not be performed (default false)

References no_design_.

◆ no_relax()

void protocols::flxbb::FlxbbDesign::no_relax ( bool const no_relax )

relax is not performed after design (default false)

References no_relax_.

◆ parse_my_tag()

void protocols::flxbb::FlxbbDesign::parse_my_tag	(	TagCOP	tag,
		basic::datacache::DataMap &	data
	)

overridevirtual

◆ provide_xml_schema()

void protocols::flxbb::FlxbbDesign::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References protocols::rosetta_scripts::append_subelement_for_parse_movemap_factory_legacy(), core::scoring::attributes_for_parse_score_function(), core::pack::task::attributes_for_parse_task_operations(), mover_name(), and protocols::moves::xsd_type_definition_w_attributes_and_repeatable_subelements().

Referenced by protocols::flxbb::FlxbbDesignCreator::provide_xml_schema().

◆ read_options()

void protocols::flxbb::FlxbbDesign::read_options ( )

read parameters

initialize setups

References blueprint_, protocols::flxbb::constraints_NtoC(), constraints_NtoC_, protocols::flxbb::constraints_sheet(), constraints_sheet_, initialize_filter(), layer_mode_, movemap_from_blueprint_, and nflxbb_cycles_.

Referenced by FlxbbDesign(), and parse_my_tag().

◆ register_options()

void protocols::flxbb::FlxbbDesign::register_options ( )

static

register options

registering of options that are relevant for FlxbbDesign

References protocols::flxbb::constraints_NtoC(), and protocols::flxbb::constraints_sheet().

◆ set_blueprint()

void protocols::flxbb::FlxbbDesign::set_blueprint ( BluePrintOP const blueprint )

set BluePrintOP

set BlueprintOP

References blueprint_.

◆ set_design_taskset()

void protocols::flxbb::FlxbbDesign::set_design_taskset ( DesignTaskSet const & design_taskset )

set DesignTaskSet Once you set DesignTaskSet, this controls almost every setups of this class

clear DesignTaskSet

References design_taskset_.

◆ set_filter_during_design()

void protocols::flxbb::FlxbbDesign::set_filter_during_design ( FilterStructsOP const filter_during_design )

filtering during design

References filter_during_design_.

◆ set_layer_mode()

void protocols::flxbb::FlxbbDesign::set_layer_mode ( String const & layer_mode )

set layer mode

References layer_mode_.

◆ set_movemap()

void protocols::flxbb::FlxbbDesign::set_movemap ( MoveMapOP const movemap )

set movemap for relax

References movemap_.

◆ set_movemap_factory()

void protocols::flxbb::FlxbbDesign::set_movemap_factory ( core::select::movemap::MoveMapFactoryCOP movemap_factory )

set movemapi_factory for relax

set movemap factory for relax

References movemap_factory_.

◆ set_ncycles()

void protocols::flxbb::FlxbbDesign::set_ncycles ( core::Size const ncycles )

the number of cycles of fixbb and relax

References nflxbb_cycles_.

◆ set_scorefxn_design()

void protocols::flxbb::FlxbbDesign::set_scorefxn_design ( ScoreFunctionOP const scorefxn )

set the score function for fixbb design

set scorefxn for fixbb design

References scorefxn_design_.

◆ set_scorefxn_relax()

void protocols::flxbb::FlxbbDesign::set_scorefxn_relax ( ScoreFunctionOP const scorefxn )

set the score function for relax

set scorefxn for relax

References scorefxn_relax_.

◆ set_weight_constraints_NtoC()

void protocols::flxbb::FlxbbDesign::set_weight_constraints_NtoC ( Real const value )

set weight of constraints_NtoC which constrain between Ca atoms of C- and N-terminal if this weight > 0.0, the constraints is applied ( default = -1.0 )

References constraints_NtoC_.

◆ set_weight_constraints_sheet()

void protocols::flxbb::FlxbbDesign::set_weight_constraints_sheet ( Real const value )

set weight of constraints_sheet which constrains between Ca atoms in beta-sheets if this weight > 0.0, the constraints is applied ( default = -1.0 )

References constraints_sheet_.

◆ use_origseq_for_not_dsgned_layer()

void protocols::flxbb::FlxbbDesign::use_origseq_for_not_dsgned_layer ( bool const use )

use original sequence for not designed region in layer_mode, otherwise the residues of the region turned into Ala ( default true )

References use_origseq_for_not_dsgned_layer_.

Member Data Documentation

◆ blueprint_

BluePrintOP protocols::flxbb::FlxbbDesign::blueprint_

private

blueprint for setting up constraints of beta sheet

Referenced by apply(), parse_my_tag(), read_options(), and set_blueprint().

◆ clear_all_residues_

bool protocols::flxbb::FlxbbDesign::clear_all_residues_

private

clear all residues before design

Referenced by apply(), and parse_my_tag().

◆ constraints_NtoC_

Real protocols::flxbb::FlxbbDesign::constraints_NtoC_

private

weight of constraints_NtoC which constrains between Ca atoms of C- and N-terminal if this weight > 0.0, the constraints is applied ( default = -1.0 )

Referenced by apply(), parse_my_tag(), read_options(), and set_weight_constraints_NtoC().

◆ constraints_sheet_

Real protocols::flxbb::FlxbbDesign::constraints_sheet_

private

weight of constraints_sheet which constrains between Ca atoms in beta-sheets if this weight > 0.0, the constraints is applied ( default = -1.0 )

Referenced by apply(), parse_my_tag(), read_options(), and set_weight_constraints_sheet().

◆ design_taskset_

DesignTaskSet protocols::flxbb::FlxbbDesign::design_taskset_

private

control the method of design with filter and relax

Referenced by add_design_task(), apply(), clear_design_taskset(), FlxbbDesign(), and set_design_taskset().

◆ filter_during_design_

FilterStructsOP protocols::flxbb::FlxbbDesign::filter_during_design_

private

filter during design

Referenced by build_design_taskset(), initialize_filter(), and set_filter_during_design().

◆ layer_mode_

String protocols::flxbb::FlxbbDesign::layer_mode_

private

perform fixbb in layer mode

Referenced by build_design_taskset(), parse_my_tag(), read_options(), and set_layer_mode().

◆ limit_aroma_chi2_

bool protocols::flxbb::FlxbbDesign::limit_aroma_chi2_

private

Referenced by build_design_taskset(), and parse_my_tag().

◆ movemap_

MoveMapOP protocols::flxbb::FlxbbDesign::movemap_

private

movemap for relax ( default NULL )

Referenced by apply(), build_design_taskset(), and set_movemap().

◆ movemap_factory_

core::select::movemap::MoveMapFactoryCOP protocols::flxbb::FlxbbDesign::movemap_factory_

private

movemap Factory for relax ( default NULL )

Referenced by apply(), build_design_taskset(), parse_my_tag(), and set_movemap_factory().

◆ movemap_from_blueprint_

bool protocols::flxbb::FlxbbDesign::movemap_from_blueprint_

private

set movemap from blueprint ( default false )

Referenced by apply(), movemap_from_blueprint(), parse_my_tag(), and read_options().

◆ nflxbb_cycles_

core::Size protocols::flxbb::FlxbbDesign::nflxbb_cycles_

private

the number of cycles of fixbb and relax

Referenced by build_design_taskset(), parse_my_tag(), read_options(), and set_ncycles().

◆ no_design_

bool protocols::flxbb::FlxbbDesign::no_design_

private

design protocol will not be performed (default false)

Referenced by apply(), no_design(), and parse_my_tag().

◆ no_relax_

bool protocols::flxbb::FlxbbDesign::no_relax_

private

relax is not performed after design (default false)

Referenced by apply(), no_relax(), and parse_my_tag().

◆ relax_constraint_to_design_

bool protocols::flxbb::FlxbbDesign::relax_constraint_to_design_

private

Referenced by build_design_taskset(), and parse_my_tag().

◆ resfile_

String protocols::flxbb::FlxbbDesign::resfile_

private

resfile

Referenced by build_design_taskset(), and parse_my_tag().

◆ scorefxn_design_

ScoreFunctionOP protocols::flxbb::FlxbbDesign::scorefxn_design_

private

score function for design

Referenced by apply(), build_design_taskset(), parse_my_tag(), and set_scorefxn_design().

◆ scorefxn_relax_

ScoreFunctionOP protocols::flxbb::FlxbbDesign::scorefxn_relax_

private

score function for relax

Referenced by apply(), build_design_taskset(), parse_my_tag(), and set_scorefxn_relax().

◆ task_operations_

utility::vector1< TaskOperationOP > protocols::flxbb::FlxbbDesign::task_operations_

private

task operations

Referenced by build_design_taskset(), FlxbbDesign(), and parse_my_tag().

◆ use_fast_relax_

bool protocols::flxbb::FlxbbDesign::use_fast_relax_

private

use fast relax or not

Referenced by build_design_taskset(), and parse_my_tag().

◆ use_origseq_for_not_dsgned_layer_

bool protocols::flxbb::FlxbbDesign::use_origseq_for_not_dsgned_layer_

private

use original sequence for not designed region in layer_mode, otherwise the residues of the region turned into Ala

Referenced by build_design_taskset(), parse_my_tag(), and use_origseq_for_not_dsgned_layer().

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

src/protocols/flxbb/FlxbbDesign.hh
src/protocols/flxbb/FlxbbDesign.cc

Public Types

Public Member Functions

Static Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Member Typedef Documentation

◆ BluePrint

◆ BluePrintOP

◆ DataMap

◆ DesignTaskOP

◆ DesignTaskSet

◆ MoveMapOP

◆ MoverOP

◆ Pose

◆ Real

◆ ScoreFunction

◆ ScoreFunctionOP

◆ Size

◆ String

◆ Super

◆ TagCOP

◆ TaskOperation

◆ TaskOperationOP

Constructor & Destructor Documentation

◆ FlxbbDesign() [1/3]

◆ FlxbbDesign() [2/3]

◆ FlxbbDesign() [3/3]

◆ ~FlxbbDesign()

Member Function Documentation

◆ add_design_task()

◆ apply()

◆ build_design_taskset()

◆ clear_design_taskset()

◆ clone()

◆ fresh_instance()

◆ get_movemap_from_blueprint()

◆ get_name()

◆ initialize_filter()

◆ movemap_from_blueprint()

◆ mover_name()

◆ no_design()

◆ no_relax()

◆ parse_my_tag()

◆ provide_xml_schema()

◆ read_options()

◆ register_options()

◆ set_blueprint()

◆ set_design_taskset()

◆ set_filter_during_design()

◆ set_layer_mode()

◆ set_movemap()

◆ set_movemap_factory()

◆ set_ncycles()

◆ set_scorefxn_design()

◆ set_scorefxn_relax()

◆ set_weight_constraints_NtoC()

◆ set_weight_constraints_sheet()

◆ use_origseq_for_not_dsgned_layer()

Member Data Documentation

◆ blueprint_

◆ clear_all_residues_

◆ constraints_NtoC_

◆ constraints_sheet_

◆ design_taskset_

◆ filter_during_design_

◆ layer_mode_

◆ limit_aroma_chi2_

◆ movemap_

◆ movemap_factory_

◆ movemap_from_blueprint_

◆ nflxbb_cycles_

◆ no_design_

◆ no_relax_

◆ relax_constraint_to_design_

◆ resfile_

◆ scorefxn_design_

◆ scorefxn_relax_

◆ task_operations_

◆ use_fast_relax_