BALL  1.4.1
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Public Member Functions | Protected Attributes
BALL::Peptides::AminoAcidDescriptor Class Reference

#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 StringgetType () const
const AnglegetPhi () const
const AnglegetPsi () const
const AnglegetOmega () 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.


Constructor & Destructor Documentation

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.

Default angles: sheet ????

Destructor.

copy constructor


Member Function Documentation

Returns the angle of the peptide bond omega.

Returns the torsion angle phi.

Returns the torsion angle psi.

Returns the type of this amino acid.

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

Set the peptide bond angle omega.

Set the torsion angle phi.

Set the torsion angle psi.


Member Data Documentation

Definition at line 85 of file peptideBuilder.h.

Definition at line 83 of file peptideBuilder.h.

Definition at line 84 of file peptideBuilder.h.

Definition at line 82 of file peptideBuilder.h.

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