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Combined Translation Function to Determine the Relative Position between A and B

  We still have to determine the relative z translation between molecules A and B. The following X-PLOR script file accomplishes this. This is also an example of a translation function with a fixed portion (molecule A). The x,z positions of molecules A and B are known up to a 0.5 translation. Therefore, four translation functions have to be carried out.


The first translation function is successful with a correlation coefficient of 0.45. The corresponding Mathematica plot is shown in Fig.\ 17.5.

Figure 17.5: Translation function.  

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Sat Mar 11 09:37:37 PST 1995