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  • Maria Schumacher
    m having difficulty in simply calculating a map for output following refinement in CNS. The refinement works well. I am trying to refine a 1.4 A structure
    Message 1 of 1 , Nov 30, 2001
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      m having difficulty in simply calculating a map for output following refinement in CNS. The refinement works
      well. I am trying to refine a 1.4 A structure which is quite large. I am hoping this won't require me to recompile.
      The error message that oocurs is as follows.

      FCALC: # scatt. = 6010 # anomalous = 0 # psecial pos. = 0 coccup=1
      %XFGRCHK error encountered: Grid in x-direction too coarse (FFT GRID or MAPRes)

      (CNS is in mode: SET ABORT=NORMal END)


      This is a pretty large asymmetric unit and high res. This input file works (been tested on other, lower res. data).
      Thanks,
      Sincerely,
      Dr. Schumacker
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