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.

translation12.inp

The first translation function is successful with a correlation coefficient of 0.45. The corresponding Mathematica plot is shown in Fig. 19.5.

Figure 19.5: Translation function.