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problem with water pick

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  • mickoala
    Hi, I have some problems with water_pick. When I use it to find waters for a structure with 1.4 A resolution using pdb file generated after bgroup, the program
    Message 1 of 1 , May 19, 2007
      Hi,
      I have some problems with water_pick. When I use it to find waters for
      a structure with 1.4 A resolution using pdb file generated after
      bgroup, the program always aborts saying argument out of range. But
      this works for my other structure with 2.05 A resolution. However,
      when I convert the bgroup pdb to generate file, water_pick runs OK.
      But for about half of the waters it picks, there are red density in
      Fo-Fc map of the refined structure. Waters for the other structure is
      fine. I wonder if this has something to do with the program not
      running correctly in the first place on this structure.

      Your help is greatly appreciated!
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