File	Date	Author	Commit
fragments	2013-02-21	jdurrant	[094de8] Initial commit
support	2015-03-09	jdurrant	[dc09a6] Further minor updates.
tutorial	2015-04-16	jdurrant	[85b9fa] Minor updates. Now version 3.1.1.
README	2013-02-22	jdurrant	[50f06e] Added README file
autogrow_3_1_1.py	2015-04-16	jdurrant	[d1c441] Corrected wrong version number in autogrow_3_1_...
pymolecule.py	2015-04-16	jdurrant	[85b9fa] Minor updates. Now version 3.1.1.

Read Me

INSTALLATION
============

AutoGrow 3 is written in python and so does not need to be compiled. The program
works in conjunction with a number of other required software packages:

MGLTools: http://mgltools.scripps.edu/
Open Babel: http://openbabel.org/wiki/Main_Page
AutoDock Vina: http://vina.scripps.edu/
NumPy: http://www.numpy.org/
SciPy: http://www.scipy.org/

Python, which is preinstalled on many systems, can be downloaded from
http://www.python.org/

AutoGrow 3 program has been specifically tested on Scientific Linux 6.2 with
python 2.6.6, NumPy 1.6.2, SciPy 0.11.0, MGLTools 1.5.4, Open Babel 2.3.1, and
AutoDock Vina 1.1.2, as well as on Mac OS X 10.8.1 with python 2.7.2, NumPy
1.6.1, SciPy 0.12.0dev, MGLTools 1.5.6, Open Babel 2.3.1, and AutoDock Vina
1.1.2.

USAGE
=====

The ./tutorial/ directory contains sample files, including the
./tutorial/run_example_linux_or_macosx file, which has detailed comments that
new users will find helpful. This same file is executable, in case users want to
actually run the example described in the comments.