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

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

We still have to determine the relative

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

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.
$\begin{figure}{\epsfxsize =300pt \noindent\epsffile{xtalmr___translation12.eps} }\end{figure}$

Xplor-NIH 2025-03-21