MolMod 0.003 README
===================

Contents of this README File:
 * Short description
 * Software dependencies
 * How to install
 * How to get technical support
 * Become a registered user
 * Contact information


Short description
-----------------

MolMod is a python package that is used by Zeobuilder and Tracks. Zeobuilder is
a GUI toolkit for the interactive construction of complex molecular models. 
Tracks is a collection of molecular dynamics and monte carlo analysis scripts.
MolMod groups a series of modules that are usefull for analyzing molecular
modeling simulations, and for setting op complex input files. MolMod can also
be used as a library for batch work, independent of Zeobuilder or Tracks.

More information about MolMod can be found on the CMM Code website:
http://molmod.ugent.be/code/


License
-------

MolMod is distributed as open source software under the conditions of the GPL
license version 3. Read the file COPYING for more details, or visit
http://www.gnu.org/licenses/


Software dependencies
---------------------

The following software has to be installed on your system before you can use
MolMod:
 1) Python (>=2.4, <3.0): see http://www.python.org/
 2) Numpy (>=1.0.1): see http://www.scipy.org/
 3) Scipy (>=0.5.2): see http://www.scipy.org/


How to install
--------------

There are several ways to install MolMod, which are all documented
at the homepage: http://molmod.ugent.be/code/


How to get technical support
----------------------------

Technical support is availlable for all registered CMM Code users. All
information can be found at: http://molmod.ugent.be/code/


Become a registered user
------------------------

There are 5 good reasons to become a registered user:

 1.  Through your registration, we can prove that people are really using
 softwarde developed at the Center for Molecular Modeling for their 
 scientific work. This facilitates the fund-raising process and guarantees 
 the continuity of these projects.

 2. It blocks spammers from unauthorized access to all online CMM Code
 services.
 
 3. A registered user can subscribe to the CMM Code mailing lists.
 
 4. A registered user is allowed to edit the wiki pages to increase the
 visibility of his/her related work.
 
 5. Registered users are allowed to submit bugs. If time permits, we will fix
 your problems in the next bug-fix release of MolMod.


If you think this software is useful, consider to register as a CMM Code user:
https://molmod.ugent.be/code/registration/


Contact information
-------------------

Supervisors:

Prof. Dr. Michel Waroquier and Prof. Dr. Ir. Veronique Van Speybroeck

Center for Molecular Modeling
Ghent University
Proeftuinstraat 86, B-9000 GENT - BELGIUM
Tel: +32 9 264 65 59
Fax: +32 9 264 65 60
Email: Michel.Waroquier@UGent.be
Email: Veronique.VanSpeybroeck@UGent.be 

Author:

Toon Verstraelen <Toon.Verstraelen@UGent.be>
Center for Molecular Modeling
Ghent University
Proeftuinstraat 86
9000 Gent, Belgium
Tel: +32 (0)9 264 65 56