I gave a talk at PyCon Canada 2015 introducing the study of structural biology using Python, particularly molecular dynamics, and then follow this with a real-world example in my research where I utilized Python to better understand the motion of proteins. The
You can see a Jupyter notebook on Github how to take a protein model, perform a simulation and analyze the results. Often in scientific Python talks, it isn’t possible to generate a scientific dataset in the talk itself! Of course, I cheat a little bit and load some pre-generated data. Unfortunately, the molecular rendering plugin ipywidget used in this talk isn’t working with the latest versions of the packages I presented in this talk but otherwise, and I’ll try to include package versions in future talks to help with deprecation.