README

REQUIREMENTS

- a copy of the ChEMBL 09 MySQL dump installed on a MySQL database server
- MySQL-python-1.2.3 (or 1.2.2)
- SQLAlchemy 0.6.x (I am currently working with 0.6.6)
- get pychembl from GitHub

- Python 2.6 (other 2.x (x>=4) versions probably work, I haven't tried
  3.x, probably it is not working there)

So far I have tested it on Linux using the configuration above; George Papadatos
reported that it also works for him on Windows XP/Python2.7 and SQLAlchemy 0.7


INSTALLATION (this is a preliminary description)

1. ChEMBL database: go to

    ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_09

   and download

    chembl_09_mysql.tar.gz

   Untar it and install it on your MySQL server

2. MySQL-python: go to

     http://sourceforge.net/projects/mysql-python/files/mysql-python/1.2.3/

   download 

    MySQL-python-1.2.3.tar.gz

   and follow the installation procedure described in the README file.
   If you ever have accessed MySQL from python, you probably have this package 
   already installed (as it is the most commonly used driver for accessing MySQL
   from python).

3. SQLAlchemy: got to

    http://www.sqlalchemy.org/download.html

   and follow one of the ways described there to install a 0.6.x version
   (0.7.x may work but I haven't tested it yet)

4. download pychembl from

    https://github.com/markussitzmann/pychembl

   unpack/untar the package, enter the created directory and make the pychembl
   directory there accessible to your python installation (e.g. by copying it to
   the site-package directory of the python installation).
 
5. Enter this pychembl directory and adapt in "settings.py" the "sqlalchemy.url" with 
   the credentials to your ChEMBL database at your MySQL server (i.e. replace "db_user",
   "db_password" and "db_host" with the correct values).

5. Take a look at some of the examples in examples.py ... a more elaborated 
   documentation will follow.

For questions, problem & bug reports, suggestions, or ideas mail 

sitzmann at helix.nih.gov