VMD-L Mailing List

From: Benjamin Bouvier (benjamin.bouvier_at_ibcp.fr)
Date: Mon Feb 22 2010 - 14:43:40 CST

Hello,

Check the Gromacs package at www.gromacs.org.
g_covar does the PCA. g_anaeig can be used to filter or project a
trajectory on PCA eigenvectors, visualize these vectors, and more.
These programs will take PDB files as input.

Cheers,
Benjamin

On Mon, 22 Feb 2010 21:03:47 +0100, MUHAMMAD IMTIA SHAFIQ
<imtiazshafiq_at_gmail.com> wrote:

> Dear All,
>
> Is there any method , script or plugin available for the principle
> component analysis of Protein PDB Structures?
>
> Regards
> Imtiaz