Sneak preview: 3D molecule viewing in Open Drug Discovery Teams app

The Open Drug Discovery Teams app will soon acquire a new feature: viewing of 3D molecules from within the app. It will be the first app from Molecular Materials Informatics to make use of recently developed OpenGL code for molecule rendering and visualisation in 3D. Click on the thumbnail on the right for a very short demo, which shows ODDT in action, opening up a factoid-tweet that provides as its payload a 3D conformation of aspirin.

The release schedule for ODDT is currently slightly backed up with the AppStore review process, but with any luck this new feature will be available soon.

The 3D molecule viewing widget is very new, and doesn’t provide much in the way of interactivity – viewing and rotating is all it does, but as a “minimum viable feature” is want to do, this will grow, e.g. more gestures (pinch-zoom, rotate, translate, etc.) and more file formats that can be parsed (currently only MDL and native formats can have their Z-coordinate extracted).

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