PCA Calculation

From: Anirban Ghosh (reach.anirban.ghosh_at_gmail.com)
Date: Tue Oct 06 2009 - 00:13:08 CDT


I have run a MD simulation of a protein using NAMD. Now I want to do PCA
(Principle Component Analysis) of it.
Can anyone suggest where to get the scripts for doing PCA (for eg. for
calculating the cavaiance matrix and then the eigen values and eigen
vectors). Is there any plugin in VMD for doing PCA or has anyone written any
scripts for doing PCA of NAMD run.
Any suggestion is welcome.


Anirban Ghosh
C-DAC, Pune

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