Rosetta Docking server

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    • February 11, 2011 at 4:36 pm #781
      Anonymous

        Dear Sir or Madam,

        I got a problem when I was trying to submit my pdb file to Rosetta docking server. I got the message as following,

        “Occupancy Error: Submitted PDB(s) have occupancy field other then ‘1.0’. Currently we only accept PDB’s with occupancy field equal ‘1.0’. Please fix occupancy field and resubmit the job.”

        Do you know how to change occupancy field of pdb file?

        Regards,

        Zhanjun Hou
        Karmanos Cancer Center
        houz@karmanos.org

      • February 11, 2011 at 9:02 pm #5008
        Anonymous

          See this thread, and particularly the post at the bottom:

          http://www.rosettacommons.org/node/2257#comment-2067

          If you don’t have awk or sed because you’re using Windows, then open the PDB in Notepad and do the replacements manually. The PDB website will tell you which columns are the occupancy; it ought to be text column numbers 54-59 (the 10th group of numbers/letters; the first on after the 3-d coordinates).

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