AMBER Archive (2007)

Subject: AMBER: electron density difference

From: Ozlem Demir (demir_at_qtp.ufl.edu)
Date: Thu Sep 06 2007 - 08:36:29 CDT

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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