GeoPCA: a new tool for multivariate analysis of dihedral angles based on principal component geodesics.

ABSTRACT: The GeoPCA package is the first tool developed for multivariate analysis of dihedral angles based on principal component geodesics. Principal component geodesic analysis provides a natural generalization of principal component analysis for data distributed in non-Euclidean space, as in the case of angular data. GeoPCA presents projection of angular data on a sphere composed of the first two principal component geodesics, allowing clustering based on dihedral angles as opposed to Cartesian coordinates. It also provides a measure of the similarity between input structures based on only dihedral angles, in analogy to the root-mean-square deviation of atoms based on Cartesian coordinates. The principal component geodesic approach is shown herein to reproduce clusters of nucleotides observed in

SUBMITTER: Sargsyan K 

PROVIDER: S-EPMC3273787 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature