#include <OriginalScaffoldBuildPoint.hh>

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

Collaboration 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 (Size index)

	~OriginalBackboneBuildPoint ()

	OriginalBackboneBuildPoint (core::conformation::Residue const &res)

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

void	initialize_from_residue (core::conformation::Residue const &res)

virtual bool	compatible (ScaffoldBuildPoint const &other, bool first_dispatch=true) const

virtual bool	compatible (OriginalBackboneBuildPoint const &other, bool first_dispatch=true) const

virtual Size	original_insertion_point () const
	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...

virtual void	insert (Size seqpos_to_insert_at, Hit const &hit, UpstreamBuilderCOP builder, core::pose::Pose &pose) const

Size	original_resid () const

core::conformation::Residue const &	input_conformation () const

Public Member Functions inherited from protocols::match::upstream::ProteinBackboneBuildPoint
	ProteinBackboneBuildPoint ()

	ProteinBackboneBuildPoint (Size index)

virtual	~ProteinBackboneBuildPoint ()

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 (Size index)

virtual	~ScaffoldBuildPoint ()

Size	index () const

void	index (Size setting)

Private Attributes
Size	original_resid_

core::conformation::ResidueOP	input_conformation_

Detailed Description

Definition at line 94 of file OriginalScaffoldBuildPoint.hh.

Member Typedef Documentation

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

Definition at line 97 of file OriginalScaffoldBuildPoint.hh.

Constructor & Destructor Documentation

protocols::match::upstream::OriginalBackboneBuildPoint::OriginalBackboneBuildPoint ( Size index)

Definition at line 81 of file OriginalScaffoldBuildPoint.cc.

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

Definition at line 86 of file OriginalScaffoldBuildPoint.cc.

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

Definition at line 88 of file OriginalScaffoldBuildPoint.cc.

References initialize_from_residue().

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

Definition at line 99 of file OriginalScaffoldBuildPoint.cc.

References initialize_from_residue().

Member Function Documentation

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

virtual

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

Definition at line 160 of file OriginalScaffoldBuildPoint.cc.

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

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

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

virtual

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.

Definition at line 171 of file OriginalScaffoldBuildPoint.cc.

void protocols::match::upstream::OriginalBackboneBuildPoint::initialize_from_residue ( core::conformation::Residue const & res)

Definition at line 110 of file OriginalScaffoldBuildPoint.cc.

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(), core::pack::dunbrack::SingleResidueDunbrackLibrary::NEUTRAL_PHI, core::pack::dunbrack::SingleResidueDunbrackLibrary::NEUTRAL_PSI, protocols::match::upstream::ProteinBackboneBuildPoint::O_pos(), protocols::match::upstream::ProteinBackboneBuildPoint::phi(), protocols::match::upstream::ProteinBackboneBuildPoint::psi(), and core::conformation::Residue::xyz().

Referenced by OriginalBackboneBuildPoint().

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

inline

Definition at line 135 of file OriginalScaffoldBuildPoint.hh.

References input_conformation_.

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

virtual

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

Definition at line 183 of file OriginalScaffoldBuildPoint.cc.

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

virtual

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.

Definition at line 177 of file OriginalScaffoldBuildPoint.cc.

References original_resid_.

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

inline

Definition at line 131 of file OriginalScaffoldBuildPoint.hh.

References original_resid_.