Molecular modeling with Ascalaph

molecular modeling software

Ascalaph is a general purpose molecular modeling software that performs quantum mechanics calculations for initial molecular model development, molecular mechanics and dynamics simulations in the gas or in condensed phase. It can interact with external molecular modeling packages (MDynaMix, ORCA, NWChem, CP2K, PC GAMESS/Firefly and DelPhi).

Learn more about Ascalaph                       Packages                       Download


Biomolecular simulations with Abalone

Bio-molecular modeling software

Abalone is designed for macromolecular simulations (proteins, DNA). It supports both explicit and implicit solvent models. In contrast to Ascalaph, tailored to the simulation of small molecules, Abalone is focused on molecular dynamics modeling of biopolymers. It supports such effective methods as the Replica Exchange and hybrid Monte Carlo.

Learn more about Abalone                       Tutor                       Purchase




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