# OERotamer¶

struct OERotamer


This class represents an OERotamer, an abstraction of a frequently observed conformation of an amino-acid side-chain. Statistical surveys of side-chain conformations for well-curated sets of protein structures reveal that almost all can be assigned to a limited number of clusters. The mean, or more usefully the mode, of each cluster’s dihedral angles can be used to represent the cluster as a whole. Collections of these dihedral angles, along with the observed probability of the associated cluster is known as a rotamer library.

• OESetRotamer function that returns an OERotamer iterator over each rotamer for a given amino-acid in a specific rotamer library
• OEGetRotamers function that takes an OERotamer as an argument and modifies the 3-dimensional structure of a particular amino-acid side-chain so that the dihedral angles are that of the rotamer.
• OERotamerLibrary namespace
• OEGetTorsion function

Note

If a specific side-chain dihedral angle does not exist in the given residue, the above GetChiX <:oe:func:OEBio::OERotamer::GetChi1> methods return -100.0.

## GetChi1¶

float GetChi1() const


Return the value of the side-chain $$\chi_1$$ dihedral angle, N-CA-CB-xG(1).

## GetChi2¶

float GetChi2() const


Return the value of the side-chain $$\chi_2$$ dihedral angle, CA-CB-xG(1)-xD(1).

## GetChi3¶

float GetChi3() const


Return the value of the side-chain $$\chi_3$$ dihedral angle, CB-xG-xD-xE(1).

## GetChi4¶

float GetChi4() const


Return the value of the side-chain $$\chi_4$$ dihedral angle, xG-xD-xE-xZ.

## GetProbability¶

float GetProbability() const


Return the probability assigned to this rotamer by the rotamer library used to set the rotamer parameters (see OERotamerLibrary).

## GetResidueIndex¶

unsigned int GetResidueIndex() const
`

Return the OEResidueIndex value indicating the type of amino-acid residue used to set the rotamer parameters.