Explore MD-TASK

[AndrewRadev]

This could allow us to segment by domain based on correlated movement.

Repo: https://github.com/RUBi-ZA/MD-TASK

• [x] Reduce trajectory file of 1fuu the spike protein: https://md-task.readthedocs.io/en/latest/general.html#reducing-your-trajectory
• [x] Build a reusable MDAnalysis script for reduction that we can run on the command-line so we don't rely on VMD
• [x] Run correlation analysis and attach heatmap
• [ ] Figure out what we can pull out of NMD files for segmentation purposes: http://prody.csb.pitt.edu/manual/reference/dynamics/nmdfile.html