chemlab - the python chemistry package you were waiting for
-----------------------------------------------------------

:Version:
   0.2

:Author:
   Gabriele Lanaro
   
:Email:   
   python-chemlab@googlegroups.com

:Website:
    http://chemlab.github.com/chemlab
    
:Docs:
    http://chemlab.rtfd.org
    
:Github:
    http://github.com/chemlab/chemlab


chemlab is a python library and a set of utilities built to ease the
life of the computational chemist. It takes inspiration from other
python scientific library such as numpy, scipy and matplotlib, and aims
to bring a consistent and simple API by following the python
guidelines.

Computational and theoretical chemistry is a huge field, and providing
a program that encompasses all aspect of it is an impossible task. The
spirit of chemlab is to provide a common ground from where you can
build specific programs. For this reason it includes an easily
extendable molecular viewer and flexible field-independent data
structures.

chemlab is looking for contributors, it includes a good documentation
and has an easy structure to get in. Feel free to send me anything that
you may do with chemlab, from supporting a new file format to writing
a new graphic renderer, even if you don'think it's perfect. Send me an
email or write an issue on the github page.

Installation
------------

TIP: more updated instructions are located in the docs:
     http://chemlab.readthedocs.org/en/latest/installation.html

chemlab is currently tested on Ubuntu 13.04. First install the dependencies:

    $ sudo apt-get install python-numpy python-scipy python-pyside python-opengl cython python-matplotlib

Then install chemlab from the setup.py included:

    $ sudo python setup.py install

Documentation
-------------

Refer to the documentation link at the beginning of this file.

Bug Reports
-----------

Go to http://github.com/chemlab/chemlab or send an email to python-chemlab@googlegroups.com.

License
-------

chemlab is released under GNU GPL3 (see COPYING attached).
