Ascalaph Designer

Ascalaph Designer is a general purpose molecular modelling package for molecular design and simulations. It provides a graphical environment for the common programs of quantum and classical molecular modelling ORCA, NWChem, Firefly, CP2K and MDynaMix . The molecular mechanics calculations cover model building, energy optimizations and molecular dynamics. The Firefly/PC GAMESS covers a wide range of quantum chemistry methods. Ascalaph Designer is released under the GNU GPL.

Key features

Field of application

See also

References