jlh at BOGOSITY.CHEM.PSU.EDU
Mon Jun 3 16:35:32 EST 1996
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.
jlh at bogosity.chem.psu.edu
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