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:


Figure 14.2: B-factor vs. residue number.
\begin{figure}{\epsfxsize =260pt

Xplor-NIH 2023-11-10