Molecular models and simulations
The Ascalaph Designer is a handy application that was developed for molecular models and simulations. With the use of this accessible application you can simulate molecular graphics, perform optimization and molecular dynamics operations or play with quantum chemistry. Here are some key features of “Ascalaph Designer”: · 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
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