Contents
The aim of this course is to provide participants with an introduction to visualisation tools used in molecular modeling, material science, and biophysics. The course consists of short lectures, demonstrations, and hands-on exercises using selected visualisation applications.
The topics covered are:
- Introduction to OVITO for visualisation and analysis of atomistic simulation data
- Introduction to VESTA for visualisation of crystal structures and volumetric data
- Introduction to VMD for visualizstion and analysis of molecular dynamics simulations
- Introduction to PyMOL for visualisation of biomolecular structures
- Typical use cases of visualisation tools in material science and biophysics
- Practical workflows for inspecting, visualising, and presenting molecular and atomistic data
Schedule (all times in CET):
- 10:00 - 11:00: Introduction to PyMOL
- 11:00 - 12:00: Introduction to OVITO
- 12:00 - 13:00: Lunch Break
- 13:00 - 14:00: Introduction to VESTA
- 14:00 - 15:00: Introduction to VMD
Prerequisites
No advanced knowledge of visualisation tools is required. Basic familiarity with molecular modeling, material science, biophysics, or scientific computing is recommended.
Hands-On
During the course, participants will be introduced to OVITO, VESTA, VMD, and PyMOL through demonstrations and practical exercises on the virtual HPC cluster RedLion. They will learn how to access and use selected visualisation tools in an HPC-oriented environment, inspect molecular and atomistic structures, visualise simulation data, and apply common visualisation workflows in material science and biophysics.