wrap.tor {bio3d}

Wrap Torsion Angle Data

Description

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

Usage

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.

Author(s)

Karim ElSawy

References

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

See Also

torsion.xyz