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Direc­tory tex-archive/graphics/mol2chemfig

mol2chemfig 1.4
---------------

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 available files for installing mol2chemfig
on your computer.


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; in 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.


Usage
-----

The 'latex' 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.


Bugs?
-----

Thought so. Please send bug reports to mpalmer@uwaterloo.ca.

Direc­to­ries

Name Notes
doc
lua
sampledoc
tex

Files

Name Size Date Notes
README 2165 2014-03-26 12:19

Down­load the con­tents of this pack­age in one zip archive (431.7k).

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.

Pack­age De­tailsmol2chem­fig
Home pagehttp://chimp­sky.uwa­ter­loo.ca/mol2chem­fig/
Ver­sion1.4 2014-03-24
Li­censeThe LaTeX Project Public Li­cense
Main­tainerMichael Palmer
Topics chem­istry doc­u­ment sup­port
im­port files in a non-TeX (or dif­fer­ent TeX) for­mat
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