Required pieces to use the RDKit software
Last update: $Date: 2009-03-20 06:45:45 +0100 (Fri, 20 Mar 2009) $
By: Greg Landrum

A. Required Python packages:
   1) Python 2.3 or later (2.5 recommended)

   2) NumPy (http://numpy.scipy.org/)
      binary versions can be downloaded here:
      http://sourceforge.net/project/showfiles.php?group_id=1369&package_id=175103

   3) PIL: the python imaging library
      (http://www.pythonware.com/products/pil/index.htm)

   4) [not required with Python2.5 and later] A database wrapper, one of:
      - pyPgSQL (http://pypgsql.sourceforge.net/) 
      - pysqlite2 (http://www.initd.org/tracker/pysqlite/wiki/pysqlite)


B. Optional Python:
   1) aggdraw: a library for high-quality drawing in
      Python. Instructions for downloading are here:
      http://effbot.org/zone/aggdraw-index.htm
      The new (May 2008) drawing code has been tested with v1.2a3 of
      aggdraw. Despite the alpha label, the code is stable and functional.

   2) matplotlib: a library for plotting from python.
      http://sourceforge.net/project/showfiles.php?group_id=80706&package_id=278194&release_id=617552

   3) ipython : a very useful interactive shell (and much more) for python:
      http://ipython.scipy.org/dist/

   4) PyQt: (http://www.riverbankcomputing.co.uk/pyqt/)
      This is only required to use the GUI tools.
      Note that you need qt v3.x, not v4.x.

   5) The egenix mx base package:
      http://www.egenix.com/files/python/eGenix-mx-Extensions.html
      also only required for the GUI tools

 
C. Other required stuff
   1) The boost shared libraries v1.33 or later (tested with 1.33-1.38)

   2) PostgreSQL (only if you're using pyPgSQL)

  
D. Required environment variables:
   - RDBASE pointing to the root of the distribution
   - PYTHONPATH: should include $RDBASE/Python
   - PATH: should include $RDBASE/bin
   - On Linux: LD_LIBRARY_PATH should include $RDBASE/bin


E. WINDOWS ONLY: Optional, but useful things to have:
   1) cygwin

   2) Some form of chemdraw

   3) MS-Excel 




