Matches in DBpedia 2015-10 for { ?s ?p "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."@en }
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- Ascalaph_Designer abstract "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.".
- Ascalaph_Designer comment "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.".