Oliver Karch about Molwind – Using CDK to Visualize Molecule Spaces in a Geospatial Context

parallel_nww_mw1Oliver Karch from Merck-Serono gave the last talk on Tuesday morning, showing how to visualize CDK to visualize molecular spaces in a way “as easy as Google Earth”. They us a workflow with Pipeline Pilot, a MolWind Server, which is Java and Apache based and then render 2D structures with CDK. The NASA Molwind client is then used for display. The map-like structure of the spaces visualized by projecting structures on a globe in this way depends of course on some kind of relationship leading to geographical neighborhood, such as similarity, common fragments, etc. They have come up with a sophisticated scheme of layers for visualization and providing a good zooming experience.

A nice thing about molwind is that is they have open-sourced it. It lives at

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  1. Actually, the SourceForge page is just empty, or do I miss something?

  2. David Wild says:

    Interesting! We started a very similar project at Indiana with Google Earth but it never got off the ground, great to hear someone else is taking it up (the original project info is at – we never published on it)

  3. Joerg, no idea why the SF page is empty. I guess they still wait for internal clearance to go open source.

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