chemobabel

LaTeX package for generating chemical structural formula from ChemDraw files or SMILES notations using Open Babel.

This package offers a new choice for chemists who need chemical structures in LaTeX documents. With this package you can insert chemical structural formulas into your documents easily with the help of Open Babel.

Various chemical formats are allowed for input, for example, .cdx, .mol and .smi.

Package Contents

• chemobabel.sty: Package itself; provides \chemobabel and \smilesobabel
• chemobabel-{en,ja}.pdf: Basic usage (source: chemobabel.dtx)
• example-en.{tex,pdf}: Examples in English
• example-ja.{tex,pdf}: Examples in Japanese

Sample ChemDraw files and MDL Molfiles are also included.

Requirements

To use this LaTeX package, it is necessary to enable execution of the following external commands via latex -shell-escape.

• obabel (Open Babel)
• inkscape or rsvg-convert (for SVG -> PDF/EPS conversion)
• pdfcrop or ps2eps (optional; for cropping large margins of PDF/EPS)

License

This package is distributed under the BSD 2-Clause License. See LICENSE.

Repository

The bundle is maintained on GitHub: https://github.com/aminophen/chemobabel

References

See http://acetaminophen.hatenablog.com/entry/2014/12/08/053519 for detail. (Sorry in Japanese)

This work is based on a lot of resources published online:

• Noel O'Boyle http://baoilleach.blogspot.jp/
• Jakob Lykke Andersen http://imada.sdu.dk/~jlandersen/
• TeX Forum http://oku.edu.mie-u.ac.jp/tex/

Release Date

$RELEASEDATE

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Hironobu YAMASHITA (aka. "Acetaminophen" or "@aminophen") http://acetaminophen.hatenablog.com/