Use of circular variance to quantify the deviation of a macromolecule
from the spherical shape
Abstract:
It is shown that the extent of deviation of a molecular shape from spherical
can be characterized by comparing the distribution of the circular variances,
a measure originally proposed to quantify angular spread,
of the vectors from each atom to the rest of the molecule
to the circular variance of a collection of atoms filling the unit sphere.
Different measures for quantifying the difference between distributions are
proposed and compared.