Wrap Torsion Angle Data

Adjust angular data so that the absolute difference of any of the observations from its mean is not greater than 180 degrees.

wrap.tor(data, wrapav=TRUE, avestruc=NULL)

Arguments

data	a numeric vector or matrix of torsion angle data as obtained from torsion.xyz.
wrapav	logical, if TRUE average structure is also ‘wrapped’
avestruc	a numeric vector corresponding to the average structure

Details

This is a basic utility function for coping with the periodicity of torsion angle data, by ‘wraping’ angular data such that the absolute difference of any of the observations from its column-wise mean is not greater than 180 degrees.

Value

A numeric vector or matrix of wrapped torsion angle data.

References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696.

Author

Karim ElSawy

See also

torsion.xyz