BALL::Peptides::AminoAcidDescriptor Class Reference
[Creation of peptides]

#include <BALL/STRUCTURE/peptideBuilder.h>

List of all members.

Public Member Functions
	AminoAcidDescriptor ()
	AminoAcidDescriptor (const String &type, const Angle &phi=Angle(-47., false), const Angle &psi=Angle(-58., false), const Angle &omega=Angle(180., false))
virtual	~AminoAcidDescriptor ()
	Default angles: sheet ????
	AminoAcidDescriptor (const AminoAcidDescriptor &aad)
void	setAminoAcidType (const String &type)
void	setPhi (const Angle &phi)
void	setPsi (const Angle &psi)
void	setOmega (const Angle &omega)
const String &	getType () const
const Angle &	getPhi () const
const Angle &	getPsi () const
const Angle &	getOmega () const
Protected Attributes
String	type_
Angle	phi_
Angle	psi_
Angle	omega_

---

Detailed Description

This class represents one amino acid in the sequence.

Definition at line 21 of file peptideBuilder.h.

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Constructor & Destructor Documentation

BALL::Peptides::AminoAcidDescriptor::AminoAcidDescriptor

(

)

Default constructor.

BALL::Peptides::AminoAcidDescriptor::AminoAcidDescriptor	(	const String &	type,
		const Angle &	phi = Angle(-47., false),
		const Angle &	psi = Angle(-58., false),
		const Angle &	omega = Angle(180., false)
	)

Detailed constructor. Here, type is considered to be either a three - letter or a one letter string for the amino acid type, phi is the torsion angle phi, psi is the psi torsion angle and omega is the angle of the peptide bond. By default, a standard alpha-helical geometry is constructed.

virtual BALL::Peptides::AminoAcidDescriptor::~AminoAcidDescriptor

(

)

[virtual]

Default angles: sheet ????

Destructor.

BALL::Peptides::AminoAcidDescriptor::AminoAcidDescriptor

(

const AminoAcidDescriptor &

aad

)

copy constructor

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Member Function Documentation

const Angle& BALL::Peptides::AminoAcidDescriptor::getOmega

(

)

const

Returns the angle of the peptide bond omega.

const Angle& BALL::Peptides::AminoAcidDescriptor::getPhi

(

)

const

Returns the torsion angle phi.

const Angle& BALL::Peptides::AminoAcidDescriptor::getPsi

(

)

const

Returns the torsion angle psi.

const String& BALL::Peptides::AminoAcidDescriptor::getType

(

)

const

Returns the type of this amino acid.

void BALL::Peptides::AminoAcidDescriptor::setAminoAcidType

(

const String &

type

)

Set the type of the amino acid. type is considered to be a one - or three letter code.

void BALL::Peptides::AminoAcidDescriptor::setOmega

(

const Angle &

omega

)

Set the peptide bond angle omega.

void BALL::Peptides::AminoAcidDescriptor::setPhi

(

const Angle &

phi

)

Set the torsion angle phi.

void BALL::Peptides::AminoAcidDescriptor::setPsi

(

const Angle &

psi

)

Set the torsion angle psi.

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Member Data Documentation

Angle BALL::Peptides::AminoAcidDescriptor::omega_ [protected]

Definition at line 85 of file peptideBuilder.h.

Angle BALL::Peptides::AminoAcidDescriptor::phi_ [protected]

Definition at line 83 of file peptideBuilder.h.

Angle BALL::Peptides::AminoAcidDescriptor::psi_ [protected]

Definition at line 84 of file peptideBuilder.h.

String BALL::Peptides::AminoAcidDescriptor::type_ [protected]

Definition at line 82 of file peptideBuilder.h.