Molecular simulation packages
- Ascalaph Graphics
is a program for molecular dynamics simulation in liquid phase with the explicit water molecules.
- Ascalaph Quantum
is an interface for the quantum mechanics packages.
- Ascalaph Designer
combines opportunities of Graphics and Quantum.
- Ascalaph Liquid GPU
is a hardware-accelerated version of Designer.
- Abalone is a biomolecular modeling program.
Features:
| Graphics | Quantum | Designer | Liquid | Abalone | |
| 3D graphics | + | + | + | + | + |
| Geometry measurement and editing | + | + | + | + | + |
| Chain builder | + | + | + | + | + |
| Mouse drawing | + | + | + | ||
| Nano examples | + | + | + | + | |
| Quantum mechanics | + | + | + | ||
| Geometry optimization | + | + | + | + | |
| Molecular dynamics | + | + | + | + | |
| Hybrid Monte Carlo | + | ||||
| Implicit water | + | ||||
| Hardware acceleration | + |