XPLOR back transform
krahn at niehs.nih.gov
Tue Aug 11 13:29:38 EST 1998
Gordon Webster wrote:
> Dear X-PLOR Users
> Is it possible for X-PLOR to read in one of its own maps (in
> standard ascii format) and back transform it to calculate
> Fc's and phases?
> Many Thanks
You should be able to back-transform with the FT() function in the XREF
statement. Xplor3.8 has the FT() function, but 3.1 doesn't. READ MAP
read a map from a file, so it should be possible to go from previous MAP
scattering factors. You might search the distributed example input
for use of the FT() function to get a good starting point.
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