Macs in Chemistry

Insanely Great Science

augmented reality

An Applescript droplet to generate Augmented Reality files from JMol


Augmented reality is finding new applications in science, in particular the ability to enhance publications or lecture notes, and viewers can set up a free account with Augment to provide easy access.

I was asked recently if it might be possible to generate an AppleScript droplet that you could simply drop a chemical structure file onto to generate the desired files needed for the Augment, and this is an ideal use case for a droplet.

This script uses Jmol to generate the Wavefront .obj and .mtl files which can be used

You read more about the script and download it here.

Nick Greeves has tweeted an example of its use here and a demo page here.


The use of augmented reality in chemistry


A couple more examples of the use of augmented reality to display chemistry

This also looks interesting.
Touching proteins with virtual bare hands

….A more accessible and intuitive visualization of the three-dimensional configuration of the atomic geometry in the models can be achieved through the implementation of immersive virtual reality (VR). While bespoke commercial VR suites are available, in this work, we present a freely available software pipeline for visualising protein structures through VR. New consumer hardware, such as the HTC Vive and the Oculus Rift utilized in this study, are available at reasonable prices….


A short ‘how-to’ on making macromolecular structures viewable in the ‘Augment’ augmented reality app


Allister Crow recently posted a brilliant twitter post of a movie showing a crystal structure in augmented reality: and he posted a simple HowTo. I've taken the original instructions and expanded them to include a few extra options including how to add colours based on a comment by @tomkazimiers.

You can read the detailed instructions here.