VMD-L Mailing List

From: greddy1_at_umd.edu
Date: Fri Apr 25 2008 - 15:12:19 CDT

Hello all,
I am interested in the Principal axes and their corresponding eigen values of a
protein. I figured out that one can extract the Principal axes from the orient.tcl
script available on the VMD website. I have looked into the orient.tcl script to see
whether I can extract the eigen values. The script uses La package to calculate the
principal axes using the mevsvd_br function which is basically a singular value
decomposition routine to calculate the eigen vectors. The documentation of the La
package says that the same function mevsvd_br returns the eigen values also but
it does NOT say how they are returned. Does anybody how how to extract the
eigen values using this package.
Thank You
G.Reddy

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