Tochemfig

Tochemfig is an Emacs interface to mol2chemfig. It turns molfiles or SMILES strings into chemfig code, the LaTeX/TiKZ package for drawing chemical structures.

How it works§

Tochemfig does not reimplement the drawing pipeline. It builds a mol2chemfig command from your input and configured options, runs it through the shell, and inserts the generated chemfig code into the current buffer. mol2chemfig can be the Python 3 tool, the original Python 2 package, or its LUA web client. Output that uses the chemfig package still needs a LaTeX/TiKZ toolchain to render.

Interface§

The package offers several entry points: tochemfig-default uses the configured defaults, tochemfig-custom walks through options interactively, and tochemfig-custom-raw exposes the underlying flags directly. Smaller commands override one option at a time, such as tochemfig-input-direct for pasting a SMILES string. Options include rotation, horizontal and vertical flipping, relative angles, aromatic circles, fancy bonds, explicit carbons and methyls, submols, compact output, and wrapping the result in \chemfig{...}.

The package is under development and not on MELPA yet. It can be installed from the repository, which also documents the available commands and configuration variables.