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J. Dunbar jlh at BOGOSITY.CHEM.PSU.EDU
Mon Jun 3 16:35:32 EST 1996


Hello, Everyone.

I would like to calculate a difference map in which I compute the difference
between a native data set and derivative data (in this case the native 
crystals in the presence of substrate).  I have been using the sample file
diff_map.inp as the starting point (section 14.7 in the X-plor 3.1 manual).
X-plor has been merging my two data sets instead of subtracting them.  I end
up with a file containing all of my native data plus some additional 
reflections from my derivative data.  Could someone please give me a 
suggestion as to how I can successfully calculate a data minus data difference
map?  I basically want to see the location of the substrate molecules.  I
have tried several variations on diff_map.inp to no avail.

Thank you,
Jennifer Dunbar
jlh at bogosity.chem.psu.edu




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