3

So I want to show the ionic interaction between a molecule and a charged element. But when I use color to highlight a part of the molecule, the bond alignment is no longer correct. The first example is ok, the other two shows the problem. I've tried two different ways to draw lines between the calcium and the electeric charge (\ominus), with strange results. I'm using texlive and chemfig v1.0h Nov 28 2013.

enter image description here

\documentclass{article}
\usepackage{chemfig,amsmath}
\newcommand{\gammach}{$\gamma$}
\begin{document}

\schemedebug{false}
\definesubmol{Glu}{
    [:0,0.75]\phantom{X}-[:30]HN-
     ([:60]
      --[:0]
       (-[:60]COO^{\ominus}
       )
     )
    (-[::-60]CO-[:0,0.5]\vphantom{X})
}
\schemestart
 \chemname{  \chemfig{ !{Glu} }}{glutamic acid}
\arrow{->[\gammach-carboxylase]}
\chemname{\chemfig{
    [:0,0.75]\phantom{X}-[:30]HN-
     ([:60]
      --[:0]
       (-[:60]COO^{\ominus}
        (-[:-40,0.975,,,dotted]Ca^{2+}?[Cahook])
       )
       (-[:-60]COO^{\ominus}-[,0.2,,,draw=none]?[Cahook,1,dotted,red])
     )
    (-[:-60]CO-[:0,0.5]\phantom{X})
}}{\gammach-carboxylated glutamic acid}
\schemestop

\schemestart
\chemname{\chemfig{ !{Glu} }}{glutamic acid}
\arrow{->[\gammach-carboxylase][\+ \color{red}CO$_2$]}
\chemname{\chemfig{
    [:0,0.75]\phantom{X}-[:30]HN-
     ([:60]
      --[:0]
       (-[:60]COO^{\ominus}
        (-[:-40,0.975,,,dotted]Ca^{2+}?[Cahook])
       )
   (-[:-60]{\color{red}COO^{\ominus}}-[,0.2,,,draw=none]?[Cahook,1,dotted,red])
     )
    (-[:-60]CO-[:0,0.5]\phantom{X})
 }}{\gammach-carboxylated glutamic acid}
\schemestop

\qquad

\schemestart
\chemname{\chemfig{ !{Glu} }}{glutamic acid}
\arrow{->[\gammach-carboxylase][\+ \color{red}CO$_2$]}
\chemname{\chemfig{
    [:0,0.75]\phantom{X}-[:30]HN-
     ([:60]
      --[:00]
       (-[:60]COO^{\ominus{}}@{higherCOO}
        (-[:-30,0.975,,,dotted,red]Ca^{2+}@{ca})
       )
       (-[:-60,,,,blue]{\color{red}COO^{\scriptstyle\ominus{}}
               }@{lowerCOO}-[:30,0.975,,,green,dotted]
       )
     )
    (-[:-60]CO-[:0,0.55])
 }}{\gammach-carboxylated glutamic acid}
\schemestop

\chemmove{ \draw[red,dotted] (ca)--(lowerCOO); }

\end{document}
4

Here is my try:

\documentclass{article}
\usepackage{chemfig}
\newcommand\gammach{$\gamma$}
\begin{document}
\setbondstyle{thick}
\schemedebug{false}
\definesubmol{Glu}{[:0,0.75]-[:30]HN-([:60]--[:0](-[:60]COO^\ominus))(-[::-60]CO-[:0,0.5])}
\schemestart
    \chemname{\chemfig{!{Glu}}}{glutamic acid}
    \arrow{->[\gammach-carboxylase]}
    \chemname{%
        \chemfig{ [,0.75]%
        -[:30]HN-([:60]--[:0](-[:60]COO|^\ominus(-[:-40,1,,,dotted]Ca?|^{2+}))%
        (-[:-60]COO^\ominus?[,,dotted,red]))(-[:-60]CO-[:0,0.5])}}%
        {\gammach-carboxylated glutamic acid}%
\schemestop
\bigbreak

\schemestart
    \chemname{\chemfig{!{Glu}}}{glutamic acid}
    \arrow{->[\gammach-carboxylase][\+ \color{red}CO$_2$]}
    \chemname{%
        \chemfig{ [,0.75]%
        -[:30]HN-([:60]--[:0](-[:60]COO|^\ominus(-[:-40,1,,,dotted]Ca?|^{2+}))%
        (-[:-60]{\color{red}C}|{\color{red}O}|{\color{red}O^\ominus}?[,,dotted,red]))(-[:-60]CO-[:0,0.5])}}%
        {\gammach-carboxylated glutamic acid}%
\schemestop
\bigbreak

\schemestart
    \chemname{\chemfig{!{Glu}}}{glutamic acid}
    \arrow{->[\gammach-carboxylase][\+ \color{red}CO$_2$]}
    \chemname{%
        \chemfig{ [,0.75]%
        -[:30]HN-([:60]--[:0](-[:60]COO|^\ominus(-[:-40,1,,,dotted]Ca?|^{2+}))%
        (-[:-60,,,,blue]{\color{red}C}|{\color{red}O}|{\color{red}O^\ominus}?[,,dotted,green]))(-[:-60]CO-[:0,0.5])}}%
        {\gammach-carboxylated glutamic acid}%
\schemestop
\end{document}

enter image description here

  • Spot-on! Thank you very much. Ahh... so I see the delimiters '|' could be placed after each colored atoms and not in front of them. I'm surprised that the delimiter was used in the hooks as well. Much appreciated. – Erik Jan 25 '14 at 23:05

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