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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
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python/SQLAlchemy interface for EBI's ChEMBL database
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