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readme 2012-03-15 1.2 kB
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BindingDB.tar.gz 2012-03-15 2.3 MB
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#####Introduction#################

- This module creates a MySQL database of   BindingDB3D.sdf  and DrugBank.sdf files
- Take the data of all compounds  of www.bindingdb.org and all the compounds of drugbank in a SDF format and join them  by calculating the inchikey of each of the compounds.

###########REQUERIMENTS###################

- python2.7
- MysqlDB modul (aptitude search python-mysqldb)
- mysql server (aptitude search mysql-server)
 -Apache server 2
- WSGI wrapper(the server must to understand python)

#############INSTALATION################

- Once installed all the requeriments:

	- Copy all the files an folders that are in web folder to your /var/www path

	- Set up ./web/config.txt and ./config.txt files putting user,password,host of your mysql server and the database name

	- Execute main.py and wait until the program downloaded files and insert the information into the database.
	
	- Download the file can take serveral  minutes or hours because of the size of each file. If you have already downloaded the files just comment the 		  function  downloadfiles and unzip from main.py

	- Once you have executed main.py go to your web brower and type "loaclhost/index.py" and start to search interactions.
Source: readme, updated 2012-03-15