Practicum: Visualization of Molecular Trajectories

· Practicum

CCMSI offered a practicum on trajectory visualization techniques for quality control and scholarly communication. Participants learned to verify geometries, inspect normal modes, and detect artifacts such as unphysical bond oscillations or thermostat misconfiguration. The session covered camera paths, depth cues, and consistent color schemes that enhance interpretability while avoiding misleading emphasis.

The practicum provided small, annotated datasets and scripts that transform raw coordinates into publication-ready panels and short animations. Recommendations included reproducible view presets, consistent rendering parameters, and captions that document simulation conditions and limitations. By standardizing visualization practice, researchers can accelerate review and make computational findings more accessible across disciplines.