Ascalaph Designer Publisher's description
from Agile Molecule
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.
Two cameras per model
CPK, Wire frame, Stick, Ball and Stick and CPK Wire frame styles
Molecular model building
Drawing by mouse
Molecular geometry editing
Preliminary optimization (Ad hoc)
Molecular geometry optimization with conjugate gradient methods
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