Visual Shell

AscalaphDesigner

(provided by AgileMolecule)

The program is an experimental graphical interface for the molecular dynamics program 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:

AscalaphDesigner-1.8.37.zip (win only)

After download:

Unpack, go to bin, start AscalaphDesigner.exe

Older visual shell MGE:

MGE_1.0.3beta.tgz

MGE_1.0.3beta.zip

After download:

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