Saturday, March 23, 2013

Making Proteins and Polymer in Blender

I was messing around in Blender and decided to create some artwork related to a recent paper published in my current research group. The idea is to create a two layers of polymer. One layer is to make a biosensor resistant to noise from non-target molecules adsorbing on the sensor surface. A second longer layer of polymer is used to attach anti-body to the sensor. The anti-body allows the sensor to target very specific molecules. Here's the image I made using Blender's cycles render engine:


Wednesday, March 20, 2013

CDK QSARs of Peptides

I was doing some working in CDK and was pleasantly surprised at how easy it is to calculate descriptors on short peptides. The code to do this is actually only three lines! Adding in a bug fix though, it becomes four. Here's the code to calculate every QSAR descriptor on a peptide


Monday, March 11, 2013

Reading Command Line args in R

I'm writing this down in my blog because I keep forgetting my standard way for adding command line arguments to R. I like to use executable R scripts that don't require --vanilla --args etc. The syntax in the R script is: