Ascalaph Designer
Molecular models and dynamic simulations
Ascalaph Designer is a general-purpose program for molecular dynamic simulations. Under a single graphical environment are represented as their own implementation of molecular dynamics as well as the methods of classical and quantum mechanics of popular programs.
Features:
- Molecular graphics
- Molecular model building
- Molecular geometry optimization with conjugate gradient methods
- Molecular dynamics
- Quantum chemistry with aid of NWChem, 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
- Fourth order integration
- Supercomputer calculations with aid of MDynaMix
- Flexible SPC water model
- Implicit water model
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