BALL::Rotamer Class Reference
[Rotamers]

#include <BALL/STRUCTURE/residueRotamerSet.h>

Public Member Functions
Constructors

	Rotamer ()
	Default constructor.
	Rotamer (const Rotamer &rotamer)
	Copy constructor.
	Rotamer (float new_P, float new_chi1, float new_chi2=0.0, float new_chi3=0.0, float new_chi4=0.0)
Public Attributes
Attributes.

float	P
	Probability.
float	chi1
	Angle $\chi_1$ in degrees.
float	chi2
	Angle $\chi_2$ in degrees.
float	chi3
	Angle $\chi_3$ in degrees.
float	chi4
	Angle $\chi_4$ in degrees.

Detailed Description

Rotamer class.

This class is used to describe rotamers, i.e. rotational conformers, of amino acid side chains. These rotamers correspond to different low-energy conformations. Rotamers can also be used to store and retrieve specific conformations of a side chain. In principle, a rotamer object is just a list containing the side chain torsion angles (up to four) and the probability of that rotamer (useful only in the context of rotamer libraries).

Definition at line 41 of file residueRotamerSet.h.