By Raphael Menges
Compile complete framework as indicated in root folder of repository. Execute binary SurfaceDynamicsVisualization in terminal while providing following arguments.
- Path to static molecular structure as PDB (without water!)
- [Optional] Path to molecular trajectory as XTC (without water!)
- High quality impostor rendering
- Playback functionality for trajectory data including animation smoothing
- Surface extraction in terms of Surface Accessible Surface definition
- As- and descension visualization of atoms
- Atom layer extraction
- Molecule analysis
- Atom group analysis including path visualization