Example

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Example

The following example performs overall B-factor refinement, followed by restrained individual B-factor refinement:

brefinement.inp The B-factors can be plotted as a function of residue number by first running the following X-PLOR protocol, which produces a text file “bfactorplot.list":

bfactorplot.inp In the second step, a Mathematica script file can be used to produce the B-factor plots shown in Fig. 14.2 for both backbone and side-chain atoms:

bfactorplot.math

**Figure 14.2:** B-factor vs. residue number.
$\begin{figure}{\epsfxsize =260pt \noindent\epsffile{xtalrefine___bfactorplot.eps} }\end{figure}$

Xplor-NIH 2025-03-21