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charlesdavid / JED

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JED is a program for performing Essential Dynamics of protein trajectories written in Java. JED is a powerful tool for examining the dynamics of proteins from trajectories derived from MD or Geometric simulations. Currently, there are two types of PCA: distance-pair and Cartesian, and three models: COV, CORR, and PCORR.

pymol pca-analysis free-energy covariance-matrix principal-components dynamical-modeling kernel-density-estimation correlation-measures essentialmode correlation-matrices eigen-vector-decomposition subspace-identification
  • Updated May 18, 2018
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