mol2chemfig 1.5 --------------- mol2chemfig is a Python program to convert chemical structures from MDL molfile format or SMILES format to the TeX format defined by the chemfig package. Its home page is at http://chimpsky.uwaterloo.ca/mol2chemfig/ This folder contains all files required for installing mol2chemfig on your computer, as well as the PDF documentation and its source files. Licence ------- Free (LaTeX Project Licence, see http://www.latex-project.org/lppl/) Requirements ------------ mol2chemfig needs a working Python version 2.x install. At the time of this writing, the most recent Python 2.x version is Python 2.7. The program should also work with other recent 2.x versions, however. In addition, mol2chemfig requires indigo toolkit for Python. The installation procedures of these prerequisites vary with your platform. On Linux, your package manager will likely be able to satisfy all requirements. Otherwise, visit python.org for Python and ggasoftware.com for indigo. To compile the code generated by mol2chemfig as part of a LaTeX document, you need both the chemfig package and the mol2chemfig.sty package that is included with this download (within the latex directory). Installation ------------ Once you have the prerequisites installed and working, open a shell window and enter cd install python setup.py install you will likely need administrator privileges for this to work. After that, you should be able to run mol2chemfig If this fails, you need to update your PATH environmental variable to include Python's default script directory. If installation fails, do NOT contact me - there are a myriad possible reasons, and most likely I can not figure them out from the other side of the world. Instead, go buy a beer for your resident Mac/Windows/Linux/WhatEver guru. As an alternative to full local installation, you can also use the lua web-client script that simply calls the mol2chemfig server for each work request. This is explained in more detail in a separate README in the 'lua' folder. Usage ----- The 'sampledoc' folder contains a sample document with several included mol2chemfig-generated chemfig code files. It also contains the mol2chemfig.sty LaTeX package that is required to compile any documents using mol2chemfig-generated chemfig code, including code generated through the mol2chemfig web interface. A copy of that file is also in the 'tex' folder. Move this file to a location where your LaTeX setup will find it. Bugs? ----- Thought so. Please send bug reports to email@example.com.
Download the contents of this package in one zip archive (752.0k).
mol2chemfig – Convert chemical structures from MDL molfile format to chemfig source code
The package contains mol2chemfig.lua, the Lua web client version of mol2chemfig. It is used from the command line but calls the mol2chemfig server for every request, to convert chemical structures from MDL molfile format or SMILES format to TeX format for processing using chemfig.
A full locally installable version (as well as the source code) of the mol2chemfig program is available from the package home page. The full program requires Python and the indigo cheminformatics library for Python. See the docs for additional details.
|Licenses||The LaTeX Project Public License|
|Contained in||MiKTeX as mol2chemfig|