This is nMoldyn-3, an interactive program for the
analysis of Molecular Dynamics trajectories. This program is
copyrighted but free to use for anyone under the CeCILL license,
see the file LICENSE for details.

nMoldyn should work with all major variants of Unix, including Linux
and MacOSX and Windows. There is little system-specific code in nMoldyn 
itself, so porting nMoldyn to other systems should be straightforward.
However, we cannot provide any support for this.

nMoldyn as well as some of its dependencies are written in Python 2
and are *not* compatible with Python 3. Much of the underlying code,
in particular in the MMTK library on which nMOLDYN is based, goes back
to Python 1.4 and would require extensive rewrited for a port to
Python 3.  We do not have the resources to do such a port. But Python
2 is still available, and can still be installed on current systems
with little effort. nMoldyn does not make use of any Python libraries
that are safety-critical, so the fact that Python 2 is now unsupported
should not matter much for nMoldyn users.

Eric Pellegrini
Calcul Scientific
Institut Laue Langevin
6 Rue Jules Horowitz
38042 Grenoble
France
E-Mail: [email protected]

Konrad Hinsen
Centre de Biophysique Moleculaire (CNRS)
Rue Charles Sadron
45071 Orleans Cedex 2
France
E-Mail: [email protected]

Gerald Kneller
Centre de Biophysique Moleculaire (CNRS)
Rue Charles Sadron
45071 Orleans Cedex 2
France
E-Mail: [email protected]

Step 1: Prerequesites
=====================

Before installing nMOLDYN make sure that the following components are installed
and configured properly:

	-Tcl and Tk libraries version >= 8.4

	-Python 2.4 or higher (but not Python 3)
	-numpy version between 1.2 and 1.8
	-matplotlib version >= 0.98
	-pyro version >= 3.9
	-ScientificPython version >= 2.8
	-MMTK version >= 2.6.1

    -NetCDF library version >= 3.6.1
     To check for that, in a terminal, type

         python -c 'import Scientific.IO.NetCDF'

     If you get no error message NetCDF is likely to be properly installed and 
     configured on your system.


Step 2: installation
====================

In a terminal, type the following instructions in the directory where you untared
the nMOLDYN archive:

    cd nMOLDYN-3.X.Y
    python setup.py build
    python setup.py install

The last command may require administrator privileges.


Step 3: running nMOLDYN
=======================

Once the installation is completed run nMOLDYN by typing

	./nMOLDYNStart.py
	
in your Python binaries directory.

In the future, you should create an alias/shortcut for that script in order to not 
disrupt any component of that sensitive directory.