\begin{Verbatim}[commandchars=\\\{\}]
\PYG{g+gp}{\PYGZgt{}\PYGZgt{}\PYGZgt{} }\PYG{n}{model} \PYG{o}{=} \PYG{n}{structure}\PYG{p}{[}\PYG{l+m+mi}{0}\PYG{p}{]}
\PYG{g+gp}{\PYGZgt{}\PYGZgt{}\PYGZgt{} }\PYG{n}{hse} \PYG{o}{=} \PYG{n}{HSExposure}\PYG{p}{()}
\PYG{g+go}{\PYGZsh{} Calculate HSEalpha}
\PYG{g+gp}{\PYGZgt{}\PYGZgt{}\PYGZgt{} }\PYG{n}{exp\PYGZus{}ca} \PYG{o}{=} \PYG{n}{hse}\PYG{o}{.}\PYG{n}{calc\PYGZus{}hs\PYGZus{}exposure}\PYG{p}{(}\PYG{n}{model}\PYG{p}{,} \PYG{n}{option}\PYG{o}{=}\PYG{l+s+s2}{\PYGZdq{}CA3\PYGZdq{}}\PYG{p}{)}
\PYG{g+go}{\PYGZsh{} Calculate HSEbeta}
\PYG{g+gp}{\PYGZgt{}\PYGZgt{}\PYGZgt{} }\PYG{n}{exp\PYGZus{}cb}\PYG{o}{=}\PYG{n}{hse}\PYG{o}{.}\PYG{n}{calc\PYGZus{}hs\PYGZus{}exposure}\PYG{p}{(}\PYG{n}{model}\PYG{p}{,} \PYG{n}{option}\PYG{o}{=}\PYG{l+s+s2}{\PYGZdq{}CB\PYGZdq{}}\PYG{p}{)}
\PYG{g+go}{\PYGZsh{} Calculate classical coordination number}
\PYG{g+gp}{\PYGZgt{}\PYGZgt{}\PYGZgt{} }\PYG{n}{exp\PYGZus{}fs} \PYG{o}{=} \PYG{n}{hse}\PYG{o}{.}\PYG{n}{calc\PYGZus{}fs\PYGZus{}exposure}\PYG{p}{(}\PYG{n}{model}\PYG{p}{)}
\PYG{g+go}{\PYGZsh{} Print HSEalpha for a residue}
\PYG{g+gp}{\PYGZgt{}\PYGZgt{}\PYGZgt{} }\PYG{n+nb}{print}\PYG{p}{(}\PYG{n}{exp\PYGZus{}ca}\PYG{p}{[}\PYG{n}{some\PYGZus{}residue}\PYG{p}{])}
\end{Verbatim}
