Visual Shell


(provided by Alexey Nikitin: AgileMolecule))

The program is an experimental graphical interface for several molecular modeling programs including MDynaMix. It can be used to:

  • construct molecular models from fragments in different files;

  • build polymeric molecules from residues;

  • edit molecular geometries by changing bond lengths, angles and torsions

  • include solvent in the model;

  • save models in several formats;

  • specify the force field for the simulation;

  • define parameters of the simulation;

  • start the simulation from the graphical interface or prepare files for manual execution of the console program;

  • monitor the dynamics process by visualizing molecular movements on a display

  • MDynamix or internal MD engine

Download: (win only) (win only)

After download:

Unpack, go to bin, start AscalaphDesigner.exe

Older visual shell MGE:


After download:

Unpack, go to bin, start , mge.csh or mge.exe on your choice

Copyright 1996, 1999, 2005, 2007,2009 by: Alexander Lyubartsev, Aatto Laaksonen, Alexey Nikitin.
Department of Physical Chemistry, Stockholm University.
All rights reserved.

Copyright 2006, 2007,2009 Agile Molecule.
All rights reserved.