This module defines a class handling normal mode analysis data.
A class for handling Normal Mode Analysis (NMA) data.
Add eigen vector and eigen value pair(s) to the instance. If eigen value is omitted, it will be set to 1. Inverse eigenvalues are set as variances.
Return covariance matrix. If covariance matrix is not set or yet calculated, it will be calculated using available modes.
Return eigenvalues. For PCA and EDA models built using coordinate data in Å, unit of eigenvalues is Å2. For ANM, GNM, and RTB, on the other hand, eigenvalues are in arbitrary or relative units but they correlate with stiffness of the motion along associated eigenvector.
Return a copy of eigenvectors array.
Return variances. For PCA and EDA models built using coordinate data in Å, unit of variance is Å2. For ANM, GNM, and RTB, on the other hand, variance is the inverse of the eigenvalue, so it has arbitrary or relative units.
Return number of modes in the instance (not necessarily maximum number of possible modes).