AMBER: electron density difference

From: Ozlem Demir <demir.qtp.ufl.edu>
Date: Thu, 6 Sep 2007 09:36:29 -0400 (EDT)

Hi All,

I did MD simulations of an enzyme in the empty and liganded forms from which I
got electron density maps in XPLOR files.
I want to obtain the difference of the two electron density maps. Could anyone
suggest me how to do it? I wonder how I can make sure that the two files have
the exact same orientation. Also how exactly should I interpret the numbers in
the XPLOR file?

Best,
Ozlem

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Received on Sun Sep 09 2007 - 06:07:18 PDT
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