Molecular simulation packages
Features:
| Designer | Abalone | |
| 3D graphics | + | + |
| Geometry measurement and editing | + | + |
| Chain builder | + | + |
| Mouse drawing | + | + |
| Nano examples | + | |
| Quantum mechanics | + | + |
| MDynaMix integration | + | |
| Geometry optimization | + | + |
| Molecular dynamics | + | + |
| Hybrid Monte Carlo | + | + |
| Replica exchange | + | + |
| Implicit water: Sheffield Generalised Born | + | + + |
| Hardware acceleration: CUDA OpenMP SSE2 |
+ + |
+ + + |
| Scripting | + | + |
