Ascalaph Designer for Windows

Name: Ascalaph Designer
Rating: 4.4 (1 reviews)
Author: Alexey Nikitin

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Key Details of Ascalaph Designer

Simulate molecular dynamics and quantum mechanics.
Last updated on December 25, 2012
There have been 3 updates
Virus scan status:
Unscannable (this software program could not be scanned for compliance. Its safety status is unknown, and caution is advised)

Developer’s Description

By Alexey Nikitin

Simulate molecular dynamics and quantum mechanics.

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. Features include 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, quantum optimization, and 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, and implicit water model, and quantum chemistry with aid of CP2K and PC GAMESS/Firefly: energy, molecular geometry optimization, and potential derived charges.