Oxford Computational Biochemistry Python workshop
This repository contains the teaching materials for the Python workshop from the Oxford Computational Biochemistry course.
Getting started
In order to participate in this workshop you can either setup a local Python environment, or run the notebooks directly through Binder or Google colab (see badges below).
The Python workshop
Click here to launch the workshop via binder:
This consists of a set of jupyter notebooks which aim to teach the basics of python programming assuming no prior knowledge. First introducing core concepts such as variables, loops, conditionals and lists, we eventually demonstrate how molecular structures can be analysed using python libraries such as MDAnalysis and NGLView.
Summary of notebooks
| Notebook | Colab link |
|---|---|
| 0. Introduction |  |
| 1. Basic Types | |
| 2. Variables and Comparisons | |
| 3. Loops | |
| 4. Conditionals | |
| 5. Lists | |
| 6. File Handling | |
| 7. Functions | |
| 8. Documentation | |
| 9. Libraries | |
| 10. NumPy | |
| 11. Object Orientated Programming | |
| 12. Protein Analysis | |
| 13. Simulation and Analysis | |
Acknowledgements
The Oxford Computational Biochemistry Python workshop has been written by several authors over several years. Please see the contributors list for more details.
License
The notebooks are licensed under a CC BY-NC 4.0 SA license (see below).