Class to graft CDR loops from an antibody to a new antibody or from a CDR pose into a different antibody. Independant of antibody and CDR modeling. Results in 100 percent loop closure if using both graft algorithms. More...

#include <AntibodyCDRGrafter.hh>

Inheritance diagram for protocols::antibody::AntibodyCDRGrafter:

[legend]

Public Member Functions
	AntibodyCDRGrafter ()

	AntibodyCDRGrafter (AntibodyInfoOP ab_info)
	Default constructor. More...

	AntibodyCDRGrafter (AntibodyInfoOP ab_info, core::pose::Pose const &donor_structure, utility::vector1< bool > const &cdrs_to_graft, core::Size nter_overhang=3, core::Size cter_overhang=3)
	Constructor with most needed arguments. More...

	AntibodyCDRGrafter (AntibodyCDRGrafter const &src)

	~AntibodyCDRGrafter () override

void	apply (core::pose::Pose &pose) override
	Main Method. More...

void	set_cdrs (utility::vector1< bool > const &cdrs)
	Set the CDRs to graft. Boolean vector of CDRNameEnums (1-8) (includes CDR4/DE loop) More...

void	set_cdr_only (CDRNameEnum cdr)
	Set a single CDR we are going to graft in. More...

void	set_donor_structure (core::pose::Pose const &pose)
	Set a donor structure. Culd be a single CDR, multiple CDRs or a whole other antibody. More...

void	set_overhang (core::Size nter_overhang, core::Size cter_overhang)
	Set the N and Cterminal overhang used for superposition before the graft. More...

void	set_stop_after_closure (bool stop_after_closure)
	Set a boolean for whether to stop after closure or not. Default TRUE. More...

void	set_use_secondary_graft_mover_if_needed (bool use_secondary_graft_mover)
	Set a boolean for whether to use the secondary graft mover is the graft is not closed using the first. Default FALSE. More...

void	set_optimize_cdrs (bool optimize_cdrs)
	Set to optimize any grafted and neighbor CDRs using dihdedral constrained relax on them. Default FALSE. Recommended if using secondary graft mover. More...

void	set_include_cdr4_in_optimization (bool include_cdr4)
	Set to include the DE loop, or CDR4 if it is a neighbor to a grafted CDR and optimization is set to on. Recommended if optimizing. Default TRUE. More...

void	set_dihedral_constraint_weight (core::Real dih_cst_wt)
	Set the dihedral constraint weight used if optimization is done and the scorefxn dihedral_constraint weight is zero. Default = 2.0. More...

void	set_idealize_insert (bool idealize_insert)
	Idealize the insert. Default TRUE. More...

void	set_scorefxn_pack (core::scoring::ScoreFunctionCOP scorefxn)
	Set the (all-atom) scorefunction used by the graft movers for packing Otherwise use cmd-line default. More...

void	set_scorefxn_low (core::scoring::ScoreFunctionCOP scorefxn)
	Set the (low-res) scorefunction used by the graft movers to close loop. Default is to use Frank Dimaio's smoothed low-res terms. More...

protocols::grafting::CCDEndsGraftMover &	get_primary_graft_mover ()
	Get a reference of the main graft mover to tweak settings. More...

protocols::grafting::AnchoredGraftMover &	get_secondary_graft_mover ()
	Get a reference of the secondary graft mover to tweak settings. More...

std::pair< bool, core::Size >	apply_to_cdr (core::pose::Pose &pose, core::pose::Pose &cdr_region_with_overhang, CDRNameEnum const cdr, protocols::grafting::AnchoredGraftMoverOP grafter)
	Apply graft mover to pose, inserting the cdr_region. More...

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override
	Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...

protocols::moves::MoverOP	clone () const override
	Return a clone of the Mover object. More...

moves::MoverOP	fresh_instance () const override
	Generates a new Mover object freshly created with the default ctor. More...

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

void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const override
	Provide the citation. 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...

Static Public Member Functions
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
void	setup_classes ()

void	set_defaults ()

Private Attributes
AntibodyInfoOP	ab_info_

core::pose::PoseOP	donor_structure_

core::scoring::ScoreFunctionOP	scorefxn_

core::scoring::ScoreFunctionOP	scorefxn_low_

utility::vector1< bool >	cdrs_to_graft_

protocols::grafting::CCDEndsGraftMoverOP	graft_mover_

protocols::grafting::AnchoredGraftMoverOP	anchored_graft_mover_

bool	use_secondary_graft_mover_

bool	stop_after_closure_

core::Size	nter_overhang_

core::Size	cter_overhang_

AntibodyNumberingSchemeEnum	numbering_scheme_
	Needed for default and RS constructor. More...

CDRDefinitionEnum	cdr_definition_

bool	optimize_cdrs_

bool	include_cdr4_

utility::vector1< utility::vector1< bool > >	neighbor_cdrs_

core::Real	dihedral_cst_weight_

Additional Inherited Members
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

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...

Detailed Description

Class to graft CDR loops from an antibody to a new antibody or from a CDR pose into a different antibody. Independant of antibody and CDR modeling. Results in 100 percent loop closure if using both graft algorithms.

Recommended to use cluster-based or general dihedral constraints on the CDR with a min or relax to optimize graft. Use optimiize_cdrs option to optimize the CDRs that were grafted and any neighbor CDRs using these dihedral constraints during relax.

By default, uses two residues on N and C terminal of insert CDR and scaffold to close loop. Use getters of primary and secondary graft mover to change this if needed. By default, stops after the graft is closed!

Constructor & Destructor Documentation

◆ AntibodyCDRGrafter() [1/4]

protocols::antibody::AntibodyCDRGrafter::AntibodyCDRGrafter ( )

References set_defaults(), and setup_classes().

◆ AntibodyCDRGrafter() [2/4]

protocols::antibody::AntibodyCDRGrafter::AntibodyCDRGrafter ( AntibodyInfoOP ab_info )

Default constructor.

References set_defaults(), and setup_classes().

◆ AntibodyCDRGrafter() [3/4]

protocols::antibody::AntibodyCDRGrafter::AntibodyCDRGrafter	(	AntibodyInfoOP	ab_info,
		core::pose::Pose const &	donor_structure,
		utility::vector1< bool > const &	cdrs_to_graft,
		core::Size	nter_overhang = `3`,
		core::Size	cter_overhang = `3`
	)

Constructor with most needed arguments.

Donor structure is what we will be grafting from. Either a CDR or a whole structure or chain. cdrs_to_graft: Boolean vector of CDRNameEnums (1-8) (includes CDR4/DE loop) overhangs: Set the N and Cterminal overhang used for superposition before the graft.

References cter_overhang_, nter_overhang_, set_cdrs(), set_defaults(), set_donor_structure(), and setup_classes().

◆ AntibodyCDRGrafter() [4/4]

protocols::antibody::AntibodyCDRGrafter::AntibodyCDRGrafter ( AntibodyCDRGrafter const & src )

◆ ~AntibodyCDRGrafter()

protocols::antibody::AntibodyCDRGrafter::~AntibodyCDRGrafter ( )

overridedefault

Member Function Documentation

◆ apply()

void protocols::antibody::AntibodyCDRGrafter::apply ( core::pose::Pose & )

overridevirtual

Main Method.

Implements protocols::moves::Mover.

◆ apply_to_cdr()

std::pair< bool, core::Size > protocols::antibody::AntibodyCDRGrafter::apply_to_cdr	(	core::pose::Pose &	pose,
		core::pose::Pose &	cdr_region_with_overhang,
		CDRNameEnum const	cdr,
		protocols::grafting::AnchoredGraftMoverOP	grafter
	)

Apply graft mover to pose, inserting the cdr_region.

Return success or failure of the graft and the position of the failure. Public in case one wants to use it by itself...

References ab_info_, protocols::antibody::cdr_region, protocols::antibody::design::check_cb(), cter_overhang_, core::sequence::end, nter_overhang_, protocols::loops::remove_cutpoint_variants(), protocols::loops::start, and protocols::antibody::TR().

Referenced by apply().

◆ clone()

protocols::moves::MoverOP protocols::antibody::AntibodyCDRGrafter::clone ( ) const

overridevirtual

Return a clone of the Mover object.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

◆ fresh_instance()

moves::MoverOP protocols::antibody::AntibodyCDRGrafter::fresh_instance ( ) const

overridevirtual

Generates a new Mover object freshly created with the default ctor.

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

◆ get_name()

std::string protocols::antibody::AntibodyCDRGrafter::get_name ( ) const

overridevirtual

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

Implements protocols::moves::Mover.

References mover_name().

◆ get_primary_graft_mover()

protocols::grafting::CCDEndsGraftMover & protocols::antibody::AntibodyCDRGrafter::get_primary_graft_mover ( )

Get a reference of the main graft mover to tweak settings.

References graft_mover_.

◆ get_secondary_graft_mover()

protocols::grafting::AnchoredGraftMover & protocols::antibody::AntibodyCDRGrafter::get_secondary_graft_mover ( )

Get a reference of the secondary graft mover to tweak settings.

References anchored_graft_mover_.

◆ mover_name()

std::string protocols::antibody::AntibodyCDRGrafter::mover_name ( )

static

Referenced by get_name(), protocols::antibody::AntibodyCDRGrafterCreator::keyname(), and provide_xml_schema().

◆ parse_my_tag()

void protocols::antibody::AntibodyCDRGrafter::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	data
	)

overridevirtual

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't force people to reimplement this method. However, we should be chatty about the fact that someone is using a RosettaScripts interface to a mover which didn't define parse_my_tag()

Reimplemented from protocols::moves::Mover.

References cdr_definition_, protocols::antibody::AntibodyEnumManager::cdr_definition_string_to_enum(), cdrs_to_graft_, cter_overhang_, dihedral_cst_weight_, donor_structure_, protocols::antibody::get_cdr_bool_from_tag(), include_cdr4_, nter_overhang_, numbering_scheme_, protocols::antibody::AntibodyEnumManager::numbering_scheme_string_to_enum(), optimize_cdrs_, core::scoring::parse_score_function(), core::import_pose::PDB_file, core::import_pose::pose_from_file(), protocols::rosetta_scripts::saved_reference_pose(), scorefxn_, stop_after_closure_, protocols::antibody::TR(), and use_secondary_graft_mover_.

◆ provide_citation_info()

void protocols::antibody::AntibodyCDRGrafter::provide_citation_info ( basic::citation_manager::CitationCollectionList & citations ) const

overridevirtual

Provide the citation.

Reimplemented from protocols::moves::Mover.

References anchored_graft_mover_, and graft_mover_.

◆ provide_xml_schema()

void protocols::antibody::AntibodyCDRGrafter::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References core::scoring::attributes_for_parse_score_function(), protocols::rosetta_scripts::attributes_for_saved_reference_pose(), mover_name(), and protocols::moves::xsd_type_definition_w_attributes().

Referenced by protocols::antibody::AntibodyCDRGrafterCreator::provide_xml_schema().

◆ set_cdr_only()

void protocols::antibody::AntibodyCDRGrafter::set_cdr_only ( CDRNameEnum cdr )

Set a single CDR we are going to graft in.

References cdrs_to_graft_.

◆ set_cdrs()

void protocols::antibody::AntibodyCDRGrafter::set_cdrs ( utility::vector1< bool > const & cdrs )

Set the CDRs to graft. Boolean vector of CDRNameEnums (1-8) (includes CDR4/DE loop)

References protocols::antibody::CDRNameEnum_proto_total, and cdrs_to_graft_.

Referenced by AntibodyCDRGrafter().

◆ set_defaults()

void protocols::antibody::AntibodyCDRGrafter::set_defaults ( )

private

◆ set_dihedral_constraint_weight()

void protocols::antibody::AntibodyCDRGrafter::set_dihedral_constraint_weight ( core::Real dih_cst_wt )

Set the dihedral constraint weight used if optimization is done and the scorefxn dihedral_constraint weight is zero. Default = 2.0.

References dihedral_cst_weight_.

◆ set_donor_structure()

void protocols::antibody::AntibodyCDRGrafter::set_donor_structure ( core::pose::Pose const & pose )

Set a donor structure. Culd be a single CDR, multiple CDRs or a whole other antibody.

References donor_structure_.

Referenced by AntibodyCDRGrafter().

◆ set_idealize_insert()

void protocols::antibody::AntibodyCDRGrafter::set_idealize_insert ( bool idealize_insert )

Idealize the insert. Default TRUE.

References anchored_graft_mover_, and graft_mover_.

◆ set_include_cdr4_in_optimization()

void protocols::antibody::AntibodyCDRGrafter::set_include_cdr4_in_optimization ( bool include_cdr4 )

Set to include the DE loop, or CDR4 if it is a neighbor to a grafted CDR and optimization is set to on. Recommended if optimizing. Default TRUE.

References include_cdr4_.

◆ set_optimize_cdrs()

void protocols::antibody::AntibodyCDRGrafter::set_optimize_cdrs ( bool optimize_cdrs )

Set to optimize any grafted and neighbor CDRs using dihdedral constrained relax on them. Default FALSE. Recommended if using secondary graft mover.

References optimize_cdrs_.

◆ set_overhang()

void protocols::antibody::AntibodyCDRGrafter::set_overhang	(	core::Size	nter_overhang,
		core::Size	cter_overhang
	)

Set the N and Cterminal overhang used for superposition before the graft.

References cter_overhang_, and nter_overhang_.

◆ set_scorefxn_low()

void protocols::antibody::AntibodyCDRGrafter::set_scorefxn_low ( core::scoring::ScoreFunctionCOP scorefxn )

Set the (low-res) scorefunction used by the graft movers to close loop. Default is to use Frank Dimaio's smoothed low-res terms.

References scorefxn_low_.

◆ set_scorefxn_pack()

void protocols::antibody::AntibodyCDRGrafter::set_scorefxn_pack ( core::scoring::ScoreFunctionCOP scorefxn )

Set the (all-atom) scorefunction used by the graft movers for packing Otherwise use cmd-line default.

References scorefxn_.

◆ set_stop_after_closure()

void protocols::antibody::AntibodyCDRGrafter::set_stop_after_closure ( bool stop_after_closure )

Set a boolean for whether to stop after closure or not. Default TRUE.

References anchored_graft_mover_, and graft_mover_.

◆ set_use_secondary_graft_mover_if_needed()

void protocols::antibody::AntibodyCDRGrafter::set_use_secondary_graft_mover_if_needed ( bool use_secondary_graft_mover )

Set a boolean for whether to use the secondary graft mover is the graft is not closed using the first. Default FALSE.

Using this results in 100% graft closure, however, in order to fix the structure, a dihedral constrained relax is done on the CDR while repacking neighbor residues. 85% Graft closure without (slight chainbreaks - not as bad as what used to be used for antibody modeling.)

References use_secondary_graft_mover_.

◆ setup_classes()

void protocols::antibody::AntibodyCDRGrafter::setup_classes ( )

private

References anchored_graft_mover_, and graft_mover_.

Referenced by AntibodyCDRGrafter().

Member Data Documentation

◆ ab_info_

AntibodyInfoOP protocols::antibody::AntibodyCDRGrafter::ab_info_

private

Referenced by apply(), and apply_to_cdr().

◆ anchored_graft_mover_

protocols::grafting::AnchoredGraftMoverOP protocols::antibody::AntibodyCDRGrafter::anchored_graft_mover_

private

Referenced by apply(), get_secondary_graft_mover(), provide_citation_info(), set_defaults(), set_idealize_insert(), set_stop_after_closure(), and setup_classes().

◆ cdr_definition_

CDRDefinitionEnum protocols::antibody::AntibodyCDRGrafter::cdr_definition_

private

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

◆ cdrs_to_graft_

utility::vector1<bool> protocols::antibody::AntibodyCDRGrafter::cdrs_to_graft_

private

Referenced by apply(), parse_my_tag(), set_cdr_only(), set_cdrs(), and set_defaults().

◆ cter_overhang_

core::Size protocols::antibody::AntibodyCDRGrafter::cter_overhang_

private

Referenced by AntibodyCDRGrafter(), apply_to_cdr(), parse_my_tag(), set_defaults(), and set_overhang().

◆ dihedral_cst_weight_

core::Real protocols::antibody::AntibodyCDRGrafter::dihedral_cst_weight_

private

Referenced by apply(), parse_my_tag(), set_defaults(), and set_dihedral_constraint_weight().

◆ donor_structure_

core::pose::PoseOP protocols::antibody::AntibodyCDRGrafter::donor_structure_

private

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

◆ graft_mover_

protocols::grafting::CCDEndsGraftMoverOP protocols::antibody::AntibodyCDRGrafter::graft_mover_

private

Referenced by apply(), get_primary_graft_mover(), provide_citation_info(), set_defaults(), set_idealize_insert(), set_stop_after_closure(), and setup_classes().

◆ include_cdr4_

bool protocols::antibody::AntibodyCDRGrafter::include_cdr4_

private

Referenced by apply(), parse_my_tag(), set_defaults(), and set_include_cdr4_in_optimization().

◆ neighbor_cdrs_

utility::vector1< utility::vector1< bool > > protocols::antibody::AntibodyCDRGrafter::neighbor_cdrs_

private

Referenced by apply(), and set_defaults().

◆ nter_overhang_

core::Size protocols::antibody::AntibodyCDRGrafter::nter_overhang_

private

Referenced by AntibodyCDRGrafter(), apply(), apply_to_cdr(), parse_my_tag(), set_defaults(), and set_overhang().

◆ numbering_scheme_

AntibodyNumberingSchemeEnum protocols::antibody::AntibodyCDRGrafter::numbering_scheme_

private

Needed for default and RS constructor.

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

◆ optimize_cdrs_

bool protocols::antibody::AntibodyCDRGrafter::optimize_cdrs_

private

Referenced by apply(), parse_my_tag(), set_defaults(), and set_optimize_cdrs().

◆ scorefxn_

core::scoring::ScoreFunctionOP protocols::antibody::AntibodyCDRGrafter::scorefxn_

private

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

◆ scorefxn_low_

core::scoring::ScoreFunctionOP protocols::antibody::AntibodyCDRGrafter::scorefxn_low_

private

Referenced by apply(), and set_scorefxn_low().

◆ stop_after_closure_

bool protocols::antibody::AntibodyCDRGrafter::stop_after_closure_

private

Referenced by parse_my_tag(), and set_defaults().

◆ use_secondary_graft_mover_

bool protocols::antibody::AntibodyCDRGrafter::use_secondary_graft_mover_

private

Referenced by apply(), parse_my_tag(), set_defaults(), and set_use_secondary_graft_mover_if_needed().

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

src/protocols/antibody/AntibodyCDRGrafter.hh
src/protocols/antibody/AntibodyCDRGrafter.cc

Public Member Functions

Static Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ AntibodyCDRGrafter() [1/4]

◆ AntibodyCDRGrafter() [2/4]

◆ AntibodyCDRGrafter() [3/4]

◆ AntibodyCDRGrafter() [4/4]

◆ ~AntibodyCDRGrafter()

Member Function Documentation

◆ apply()

◆ apply_to_cdr()

◆ clone()

◆ fresh_instance()

◆ get_name()

◆ get_primary_graft_mover()

◆ get_secondary_graft_mover()

◆ mover_name()

◆ parse_my_tag()

◆ provide_citation_info()

◆ provide_xml_schema()

◆ set_cdr_only()

◆ set_cdrs()

◆ set_defaults()

◆ set_dihedral_constraint_weight()

◆ set_donor_structure()

◆ set_idealize_insert()

◆ set_include_cdr4_in_optimization()

◆ set_optimize_cdrs()

◆ set_overhang()

◆ set_scorefxn_low()

◆ set_scorefxn_pack()

◆ set_stop_after_closure()

◆ set_use_secondary_graft_mover_if_needed()

◆ setup_classes()

Member Data Documentation

◆ ab_info_

◆ anchored_graft_mover_

◆ cdr_definition_

◆ cdrs_to_graft_

◆ cter_overhang_

◆ dihedral_cst_weight_

◆ donor_structure_

◆ graft_mover_

◆ include_cdr4_

◆ neighbor_cdrs_

◆ nter_overhang_

◆ numbering_scheme_

◆ optimize_cdrs_

◆ scorefxn_

◆ scorefxn_low_

◆ stop_after_closure_

◆ use_secondary_graft_mover_