Ascalaph Designer software free download is a molecular graphics, molecular dynamics, pptimization, quantum chemistry program for molecular modeling building. Ascalaph Designer program 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.
Key features of Ascalaph Designer software:
- Molecular builder
- Molecular graphics
- Molecular dynamics
- Quantum chemistry
- Optimization
- Flexible SPC water model
- Implicit water model
- 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 NWChem, CP2K and PC GAMESS/Firefly
Energy - Molecular geometry optimization
- Potential Derived Charges
Download Ascalaph Designer 1.8.94 – (120 MB)
