HT4 T1: Exploring the structural and dynamic data

HT4: Visualization

T1 (Tutorial): Exploring the structural and dynamic data

This will be an interactive session in which the participants will be able to use the programmatic tools (in form of interactive Jupyter notebooks with embedded visualization or a full-fledged web application) to explore the data contained in the database of molecular structures and MD trajectories. It is meant to be highly interactive and possibly even competitive to motivate the students to solve the tasks.

Figure 1. On top the visualizations of the differences and similarities in the crystal packings od structures of purine nucleoside phosphorylases. Bellow is the mockup of the interactive game that will allow the participants to explore symmetry and compete with the other in a search for the right crystal packing.