gwebster at imb-jena.de
Fri Mar 7 04:55:26 EST 1997
I would like to know if it is possible to back-transform a map in
X-PLOR ie. to calculate structure factors directly from a map instead
of from an atomic model. Can I use something like a "do(var=ft(map1))"?
I know that the SFALL program in CCP4 can do this, but this program
seems to be rather exigent with regard to the map grid, and if I
try to satisfy these requirements in X-PLOR, I run out of storage
when I try to calculate the map.
I need to work with X-PLOR maps because I am using some home-grown
software of my own to manipulate the maps, and I do not have the time
right now to rewrite it. One solution would be to switch back and
forth between X-PLOR and CCP4 maps via e.g. MAPMAN, but I would like to
avoid this if possible, and the reason I wrote my own map modification
software in the first place was to have complete control over the
data points in my maps.
Any help would be warmly received.
Gordon Webster Phone: +49-3641-65-6070
Institute of Molecular Biotechnology Fax: +49-3641-65-6062
Department of Structural Biology email: gwebster at imb-jena.de
Beutenbergstrasse 11, Postfach 100813,
D-07708 Jena, Germany
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