XPLOR back transform

Joe Krahn 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
> 
> Gordon

You should be able to back-transform with the FT() function in the XREF
DO 
statement.  Xplor3.8 has the FT() function, but 3.1 doesn't.  READ MAP
will
read a map from a file, so it should be possible to go from previous MAP
to
scattering factors.  You might search the distributed example input
files
for use of the FT() function to get a good starting point.

Joe Krahn



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