![]() ![]() ![]() Aten can assign atom types from common forcefields based on connectivity through its typing language NETA, and thus write out the complete forcefield expression for a system, including both inter- and intra-molecular terms, provided a suitable source forcefield file is available. the CCP5 code DL_POLY), but is equally well suited to load and edit crystal structures and single molecules in isolation. Aten is completely free, and available for Mac, Windows, and Linux systems.Īten is designed primarily for those wishing to create input coordinates for molecular dynamics packages (e.g. Aten offers full editing via either graphical user interface or command line (scripted) operation. molecular dynamics, ab initio simulations etc. Aten is a molecular modelling package that allows editing and manipulation of atoms and molecules in isolated and periodic systems, and will be of use to anyone interested in molecular simulation - e.g. ![]()
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August 2023
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