KNIME (Konstanz Information Miner) is a user-friendly and comprehensive open-source data integration, processing, analysis, and exploration platform.Currently we have KNIME nodes for the following ICM functions:

• 2d3d conversion
• conformation generator (_confGen)
• flexible APF superposition (_chemSuper)
• docking (_dockScan and _dockProjPrep)

To use ICM in KNIME

1. Download KNIME from www.knime.org
2. In KNIME go to File/Install KNIME extensions and search for and select the KNIME Base Chemisty Types and Nodes. When you do this you will see a Chemistry directory in the Node Repository.
3. Download MolSoft's KNIME Java file http://www.molsoft.com/distrib/3.7-3a/com.molsoft.Icm_1.0.0.jar (contact Molsoft for user name and password) and copy it into the KNIME plugins directory.

Here is an example for Structure-based virtual ligand screening in KNIME: