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

This class represents one amino acid in the sequence. More...

#include <peptideBuilder.h>

List of all members.

Public Member Functions
	AminoAcidDescriptor ()
	Default constructor.
	AminoAcidDescriptor (const String &type, const Angle &phi=Angle(-47., false), const Angle &psi=Angle(-58., false), const Angle &omega=Angle(180., false))
	Detailed constructor.
virtual	~AminoAcidDescriptor ()
	Default angles: sheet ????
	AminoAcidDescriptor (const AminoAcidDescriptor &aad)
	copy constructor
void	setAminoAcidType (const String &type)
	Set the type of the amino acid.
void	setPhi (const Angle &phi)
	Set the torsion angle phi.
void	setPsi (const Angle &psi)
	Set the torsion angle psi.
void	setOmega (const Angle &omega)
	Set the peptide bond angle omega.
const String &	getType () const
	Returns the type of this amino acid.
const Angle &	getPhi () const
	Returns the torsion angle phi.
const Angle &	getPsi () const
	Returns the torsion angle psi.
const Angle &	getOmega () const
	Returns the angle of the peptide bond omega.
Protected Attributes
String	type_
Angle	phi_
Angle	psi_
Angle	omega_

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Detailed Description

This class represents one amino acid in the sequence.

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Constructor & Destructor Documentation

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.

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Member Function Documentation

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.