Directory `graphics/chemobabel`

README.md

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

2022-10-22

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

Download the contents of this package in one zip archive (1.3M).

chemobabel – Convert chemical structures from ChemDraw, MDL molfile or SMILES using Open Babel

This package provides a way to convert and include chemical structure graphics from various chemical formats, such as ChemDraw files, MDL molfile or SMILES notations using Open Babel.