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