Performs principal components analysis (PCA) on an ensemble of PDB structures.
# S3 method for pdbs pca(pdbs, core.find = FALSE, fit = FALSE, ...)
an object of class
logical, if TRUE core.find() function will be called to find core positions and coordinates of PDB structures will be fitted based on cores.
logical, if TRUE coordinates of PDB structures will be fitted based on all CA atoms.
additional arguments passed to the method
pca.pdbs is a wrapper for the function
pca.xyz, wherein more details of the PCA procedure
Returns a list with the following components:
eigenvectors (i.e. the variable loadings).
scores of the supplied
data on the pcs.
the standard deviations of the pcs.
the means that were subtracted.
Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696.
Barry Grant, Lars Skjaerven and Xin-Qiu Yao