Ascalaph Designer
Molecular models and simulations
Features:
- Molecular graphics
- Molecular model building
- Geometry optimization with conjugate gradient methods
- Molecular dynamics
- Quantum chemistry with aid of CP2K and PC GAMESS/Firefly
- Multiple windows
- Two cameras per model
- CPK, Wire frame, Stick, Ball and Stick and CPK Wire frame styles
- Clashes removing
- Multiple time step integration
- Supercomputer calculations with aid of MDynaMix
- Flexible SPC water model
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