Calculate the variance of all pairwise distances in an ensemble of Cartesian coordinates.
var.xyz(xyz, weights=TRUE)
var.pdbs(pdbs, ...)Returns the a matrix of the pairwise distance variance, formated as weights if ‘weights=TRUE’.
an object of class "xyz" containing Cartesian
coordinates in a matrix.
logical, if TRUE weights are calculated based on the pairwise distance variance.
a ‘pdbs’ object as object from function
pdbaln.
arguments passed to associated functions.
Lars Skjaerven
This function calculates the variance of all pairwise distances in an ensemble of Cartesian coordinates. The primary use of this function is to calculate weights to scale the pair force constant for NMA.
Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696.
nma.pdbs