protocols::match::upstream::OriginalBackboneBuildPoint Class Reference

#include <OriginalScaffoldBuildPoint.hh>

Inheritance diagram for protocols::match::upstream::OriginalBackboneBuildPoint:

Public Types
typedef ProteinBackboneBuildPoint	parent
Public Types inherited from protocols::match::upstream::ProteinBackboneBuildPoint
typedef core::Real	Real
typedef core::Vector	Vector
typedef ScaffoldBuildPoint	parent
Public Types inherited from protocols::match::upstream::ScaffoldBuildPoint
typedef core::Size	Size

Public Member Functions
	OriginalBackboneBuildPoint (core::Size index)
	~OriginalBackboneBuildPoint () override
	OriginalBackboneBuildPoint (core::conformation::Residue const &res)
	OriginalBackboneBuildPoint (core::conformation::Residue const &res, core::Size index)
void	initialize_from_residue (core::conformation::Residue const &res)
bool	compatible (ScaffoldBuildPoint const &other, bool first_dispatch=true) const override
bool	compatible (OriginalBackboneBuildPoint const &other, bool first_dispatch=true) const override
core::Size	original_insertion_point () const override
	Inform the calling function where in the original scaffold this build point should be inserted. If the output pose from a matching has a different number of residues than the original scaffold, then the calling function must determine where the hit from this build point should be inserted. More...
void	insert (core::Size seqpos_to_insert_at, Hit const &hit, UpstreamBuilderCOP builder, core::pose::Pose &pose) const override
core::Size	original_resid () const
core::conformation::Residue const &	input_conformation () const
Public Member Functions inherited from protocols::match::upstream::ProteinBackboneBuildPoint
	ProteinBackboneBuildPoint ()
	ProteinBackboneBuildPoint (core::Size index)
	~ProteinBackboneBuildPoint () override
Real	phi () const
Real	psi () const
Vector	N_pos () const
Vector	CA_pos () const
Vector	C_pos () const
Vector	O_pos () const
Vector	H_pos () const
Vector	HA_pos () const
void	phi (Real setting)
	Setters. More...
void	psi (Real setting)
void	N_pos (Vector const &setting)
void	CA_pos (Vector const &setting)
void	C_pos (Vector const &setting)
void	O_pos (Vector const &setting)
void	H_pos (Vector const &setting)
void	HA_pos (Vector const &setting)
Public Member Functions inherited from protocols::match::upstream::ScaffoldBuildPoint
	ScaffoldBuildPoint ()
	ScaffoldBuildPoint (core::Size index)
	~ScaffoldBuildPoint () override
core::Size	index () const
void	index (core::Size setting)

Private Attributes
core::Size	original_resid_
core::conformation::ResidueOP	input_conformation_

Member Typedef Documentation

parent

typedef ProteinBackboneBuildPoint protocols::match::upstream::OriginalBackboneBuildPoint::parent

Constructor & Destructor Documentation

OriginalBackboneBuildPoint() [1/3]

protocols::match::upstream::OriginalBackboneBuildPoint::OriginalBackboneBuildPoint

(

core::Size

index

)

~OriginalBackboneBuildPoint()

protocols::match::upstream::OriginalBackboneBuildPoint::~OriginalBackboneBuildPoint ( )

overridedefault

OriginalBackboneBuildPoint() [2/3]

protocols::match::upstream::OriginalBackboneBuildPoint::OriginalBackboneBuildPoint

(

core::conformation::Residue const &

res

)

References initialize_from_residue().

OriginalBackboneBuildPoint() [3/3]

protocols::match::upstream::OriginalBackboneBuildPoint::OriginalBackboneBuildPoint	(	core::conformation::Residue const &	res,
		core::Size	index
	)

References initialize_from_residue().

Member Function Documentation

compatible() [1/2]

bool protocols::match::upstream::OriginalBackboneBuildPoint::compatible ( OriginalBackboneBuildPoint const &  other, bool  first_dispatch = true  ) const

overridevirtual

It's ok for a single backbone build point to be used by multiple geometric constraints at least from the perspective of the build point. If two different side chain conformations are needed for a single build point, then clearly that's impossible; however, if one of the geometric constraints requires a particular sidechain conformation, and the other is using the backbone of the original build point, then we're fine. Therefore, this method always returns true.

Reimplemented from protocols::match::upstream::ScaffoldBuildPoint.

compatible() [2/2]

bool protocols::match::upstream::OriginalBackboneBuildPoint::compatible ( ScaffoldBuildPoint const &  other, bool  first_dispatch = true  ) const

overridevirtual

Reimplemented from protocols::match::upstream::ScaffoldBuildPoint.

References protocols::match::upstream::ScaffoldBuildPoint::compatible().

Referenced by protocols::match::upstream::ScaffoldBuildPoint::compatible().

initialize_from_residue()

void protocols::match::upstream::OriginalBackboneBuildPoint::initialize_from_residue

(

core::conformation::Residue const &

res

)

References core::conformation::Residue::aa(), core::chemical::aa_gly, core::chemical::aa_pro, protocols::match::upstream::ProteinBackboneBuildPoint::C_pos(), protocols::match::upstream::ProteinBackboneBuildPoint::CA_pos(), protocols::match::upstream::ProteinBackboneBuildPoint::H_pos(), protocols::match::upstream::ProteinBackboneBuildPoint::HA_pos(), core::conformation::Residue::has(), input_conformation_, core::conformation::Residue::is_lower_terminus(), core::conformation::Residue::is_protein(), core::conformation::Residue::is_upper_terminus(), core::conformation::Residue::mainchain_torsion(), protocols::match::upstream::ProteinBackboneBuildPoint::N_pos(), protocols::match::upstream::ProteinBackboneBuildPoint::O_pos(), core::pack::dunbrack::SingleResidueDunbrackLibrary::PEPTIDE_NEUTRAL_PHI, core::pack::dunbrack::SingleResidueDunbrackLibrary::PEPTIDE_NEUTRAL_PSI, protocols::match::upstream::ProteinBackboneBuildPoint::phi(), protocols::match::upstream::ProteinBackboneBuildPoint::psi(), and core::conformation::Residue::xyz().

Referenced by OriginalBackboneBuildPoint().

input_conformation()

core::conformation::Residue const& protocols::match::upstream::OriginalBackboneBuildPoint::input_conformation ( ) const

inline

References input_conformation_.

insert()

void protocols::match::upstream::OriginalBackboneBuildPoint::insert ( core::Size  seqpos_to_insert_at, Hit const &  hit, UpstreamBuilderCOP  builder, core::pose::Pose &  pose  ) const

overridevirtual

Implements protocols::match::upstream::ScaffoldBuildPoint.

original_insertion_point()

OriginalBackboneBuildPoint::Size protocols::match::upstream::OriginalBackboneBuildPoint::original_insertion_point ( ) const

overridevirtual

Inform the calling function where in the original scaffold this build point should be inserted. If the output pose from a matching has a different number of residues than the original scaffold, then the calling function must determine where the hit from this build point should be inserted.

Implements protocols::match::upstream::ScaffoldBuildPoint.

References original_resid_.

original_resid()

core::Size protocols::match::upstream::OriginalBackboneBuildPoint::original_resid ( ) const

inline

References original_resid_.

Member Data Documentation

input_conformation_

core::conformation::ResidueOP protocols::match::upstream::OriginalBackboneBuildPoint::input_conformation_

private

Referenced by initialize_from_residue(), and input_conformation().

original_resid_

core::Size protocols::match::upstream::OriginalBackboneBuildPoint::original_resid_

private

Referenced by original_insertion_point(), and original_resid().

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

• src/protocols/match/upstream/OriginalScaffoldBuildPoint.hh
• src/protocols/match/upstream/OriginalScaffoldBuildPoint.cc