CVDISTR: calculating sphericity from circular variance

Mihaly Mezei

Department of Pharmacological Sciences,

Icahn School of Medicine at Mount Sinai

New York, NY 10029

June 23, 2015.

The program calculates the degree of sphericity by comparing the distribution of circular variances for the atoms in a moleule with the same distribution for a set of atoms inside a sphere [M. Mezei, J. Math. Chem., 53, 2184-2189 (2015); doi: 10.1007/s10910-015-0540-4].

The program is run with command line arguments:

cvdistr [options]

where the following options are available:

The program is written in Fortran-77 and can be compiled with any Fortran compiler, including GNU fortran:

f77 -o cvdistr cvdistr.f

to obtain the executable cvdistr