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Shake & Bake
 
Shake & Bake (SnB)

The Shake-and-Bake method of crystal structure determination is a direct method phasing algorithm based on the minimal principle.

The SNB home page contains lots of information about the theory of the program and usage.

  • source /joule2/programs/login to set the following environmental variables:

    setenv SNB_HOME /joule2/programs/snb/snb_v2.2
set path=($SNB_HOME/bin $path)
  • To run Shake and Bake, type "SnB" on your linux computer
  • Hint: If your job is running slow, copy the data to /tmp then restart the job. Transferring your data to /tmp avoids the use of NSF and so allows the cpu quicker access to your data.
  • GUI tutorial --tells you what each button does. http://www.hwi.buffalo.edu/SnB/Tutorial/GUI.htm
  • User's guide --more in-depth help. http://www.hwi.buffalo.edu/SnB/SnBhelp/Index.html

    REFERENCES
    Weeks, C.M. & Miller, R. (1999). The design and implementation of SnB v2.0, J. Appl. Cryst.32, 120-124.
    Other references http://www.hwi.buffalo.edu/SnB/SnBhelp/References.html