Re: PCA Calculation

From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Tue Oct 06 2009 - 03:47:05 CDT

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> I have run a MD simulation of a protein using NAMD. Now I want to do PCA
> (Principle Component Analysis) of it.

Carma² can do both cartesian & dihedral PCA straight from your PSF & DCD
files.

Nicholas

² http://utopia.duth.gr/~glykos/Carma.html

-- 
          Dr Nicholas M. Glykos, Department of Molecular Biology
     and Genetics, Democritus University of Thrace, University Campus,
  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/

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