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Rotamer Class Reference
[Rotamers]

Rotamer class. More...

#include <residueRotamerSet.h>

List of all members.

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).