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The Ascalaph Designer application was developed for molecular models and simulations. Using this application you can simulate, molecular graphics, optimization, molecular dynamics, quantum chemistry.

Features:

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
Geometry editing
Preliminary optimization (Ad hoc)
Quantum optimization
Nanotubes examples
Clashes removing

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
Energy
Optimization
Potential Derived Charges