advanced tutorials

[orbeckst]

Notebooks for advanced topics and self-guided study

• visualization with nglview
• PDB focus
  • include intro to PDB attributes (using occupancy – see MDA Tutorial: b-factors)
  • fetch_MMTF
• Universe building
  • Universe.empty
  • adding new topology attrs
• Advanced Universe creation
  • in memory
  • guess bonds
• Writing a custom Reader class

The h-bonding case study is listed separately #25.

[richardjgowers]

@dotsdl is there an existing datreant tutorial notebook? I know there's the scipy talk on youtube..

[micaela-matta]

I can make one on π-stacking/ using networkx, @richardjgowers might demo pystride?

[orbeckst]

These are good ideas for the future. I'll leave them open.