PProteinResidue Class Reference

#include <PProteinResidue.h>

Inheritance diagram for PProteinResidue:

List of all members.

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Detailed Description

This class represents a residue within PProtein, so it makes assumptions on the contents within. More specifically, this residue has a backbone and sidechain and depends on the configuration data provided with LoopTK. Do not create PProteinResidue directly - use PProtein::AddResidue instead. See PResidue, the superclass, for more operations.

Public Member Functions
	PProteinResidue (PProtein *loop, const string &shellName)
	PProteinResidue (PProtein *loop, const string &shellName, PResidueSpec &spec)
	PProteinResidue (PProtein *loop, const string &shellName, PResidue *toConnect)
	PProteinResidue (PProtein *loop, const string &shellName, PResidueSpec &spec, PResidue *toConnect)
PProteinResidue *	NextResidue ()
PProteinResidue *	PreviousResidue ()
PProtein *	getProtein ()
void	ResetSideChain ()
bool	ApplyRotamer ()
bool	ApplyRotamer (int index)
void	SaveSideChain ()
void	SetPhi (Real phi)
Real	GetPhi ()
void	SetPsi (Real psi)
Real	GetPsi ()
void	SetChi (Real chi, int index)
Real	GetChi (int index)

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Constructor & Destructor Documentation

PProteinResidue::PProteinResidue	(	PProtein *	loop,
		const string &	shellName
	)			[inline]

PProteinResidue::PProteinResidue	(	PProtein *	loop,
		const string &	shellName,
		PResidueSpec &	spec
	)			[inline]

PProteinResidue::PProteinResidue	(	PProtein *	loop,
		const string &	shellName,
		PResidue *	toConnect
	)			[inline]

PProteinResidue::PProteinResidue	(	PProtein *	loop,
		const string &	shellName,
		PResidueSpec &	spec,
		PResidue *	toConnect
	)			[inline]

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Member Function Documentation

PProteinResidue* PProteinResidue::NextResidue

(

)

[inline]

Returns the next residue in the protein chain or NULL if this is the last residue.

PProteinResidue* PProteinResidue::PreviousResidue

(

)

[inline]

Returns the previous residue in the protein chain or NULL if this is the first residue.

PProtein* PProteinResidue::getProtein

(

)

[inline]

Returns the protein which directly owns this residue (the lowest subchain in the protein heirarchy.

void PProteinResidue::ResetSideChain

(

)

Resets the side chain position to saved position. Use SaveSideChain() to save position.

bool PProteinResidue::ApplyRotamer

(

)

Cycles through collision free rotamers.

bool PProteinResidue::ApplyRotamer

(

int

index

)

Apply a specific rotamer.

void PProteinResidue::SaveSideChain

(

)

Save the current side chain position. Use ResetSideChain() to apply saved position.

void PProteinResidue::SetPhi

(

Real

phi

)

Sets the backbone Phi angle of the residue. Phi is the torsion angle between N and C-alpha bond in degrees. The angle ranges from -180 (left-handed rotation) to 180 (right-handed rotation) with 0 degrees occuring when C-alpha, C bond is cis to C, N bond.

Real PProteinResidue::GetPhi

(

)

Returns the current Phi angle of the residue.

void PProteinResidue::SetPsi

(

Real

psi

)

Sets the backbone Psi angle of the residue. Psi is the torsion angle (right-handed rotation) between C-alpha and C in degrees. The angle ranges from 180 (right-handed rotation) to -180 (left-handed rotation) degrees. 0 degrees occurs when Ca-C bond is cis to C-N bond.

Real PProteinResidue::GetPsi

(

)

Returns the current Psi angle of the residue.

void PProteinResidue::SetChi	(	Real	chi,
		int	index
	)

Sets the indexed Chi angle of the side chain in degrees.

Real PProteinResidue::GetChi

(

int

index

)

Returns the indexed Chi angle of the side chain.

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

• src/core/PProteinResidue.h
• src/core/PProteinResidue.cc

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