Download Latest Version ChEMBLspace_v14.jar (20.2 MB)
Email in envelope

Get an email when there's a new version of ChEMBLspace

Home
Name Modified Size InfoDownloads / Week
Suppl_Info 2012-10-31
0
EXAMPLE.txt 2012-10-31 1.6 kB
0
README.txt 2012-10-31 1.3 kB
0
ChEMBLspace_v14.jar 2012-10-30 20.2 MB
0
Totals: 4 Items   20.3 MB 0 
1. Standalone Java application (the simplest approach)

Download the ChEMBLspace_vXX.jar file to your computer and double-click on the icon.

General Mouse Commands:

	 - Left mouse button drag. Translates network in the XY plane

	 - Left mouse button drag over a target node. Drags node to new position.

	 - Right mouse button drag. Zoom in zoom out.


2. For the Java Developer

Check out the latest code from the SVN trunk to your favourite Java IDE.

Add the CDK (http://cdk.sourceforge.net/) and Prefuse (http://prefuse.org/) java libraries and run/edit/build the code from source. The necessary biological data and network.xml files are already in ./src/data in the SVN trunk.


3. Start entirely from scratch

Download the Suppl_Inf folder. Having a working ChEMBL MySQL instance, execute in turn the SQL script, KNIME workflow and Python script in order to build and populate the Polypharmacology MySQL database with the required table structure. Then check out the code from SVN as above, add the MySQL java driver and execute the DataProcessor.java to retrieve data from the Polypharmacology database and generate the flat .tsv and network.xml files. 

Finally, add the CDK and Prefuse libraries and run/edit/build the code from source.
Source: README.txt, updated 2012-10-31