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3D modelling of C60 in HTML/Javascript


With the expected demise of Flash as a vector graphics and animation platform for the web we have been looking at a few alternatives for some of our ‘fun’ projects. One of these was a simple 3D animator for Protein Data Base (.pdb) files. This widely used format provides XYZ coordinate data for molecules, and in our early Flash based models we translated these coordinates into something that sensibly fitted onto your display, and applied 3D transform matrices to allow you to manipulate the ‘molecule’, with each atom rendered as a simple disc.

Given the simplicity of the system, it seemed obvious to translate the code into Javascript. Indeed, we had the added advantage that we could render each ‘atom’ as a HTML primitive with CSS3 gradient shading to give it the appearance of 3 dimensions. As a result, there is no need for vector graphics or little .gif or .png images for each atom.

As you can see above, in our model of Buckminsterfullerene or C60, the process can be quite effective – simply roll your mouse across the model (or swipe your finger if you are on a mobile device) to rotate it. It has to be stated that this process is less effective for larger molecules. We could effectively animate and control molecules with up to 250 ‘atoms’ in Flash, the number is rather lower in HTML/Javascript, perhaps 100 atoms or points being a sensible practical limit, beyond which the model becomes unresponsive.