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windows default iconAscalaph Designer Publisher's description

Ascalaph Designer is a general-purpose program for molecular 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.


Molecular graphics
Multiple windows
Two cameras per model
CPK, Wire frame, Stick, Ball and Stick and CPK Wire frame styles

Molecular model building
Crystal builder
Chain Builder
Drawing by mouse
Molecular geometry editing
Preliminary optimization (Ad hoc)
Quantum optimization
Nanotubes examples
Clashes removing

Molecular geometry optimization with conjugate gradient methods

Molecular dynamics
Multiple time step integration
Fourth order integration
Supercomputer calculations with aid of MDynaMix
Flexible SPC water model
Implicit water model

Quantum chemistry with aid of CP2K and PC GAMESS/Firefly
Molecular geometry optimization
Potential Derived Charges

System Requirements:

No special requirements.
Program Release Status: Major Update
Program Install Support: Install and Uninstall

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