Gabedit

Features

• Gabedit makes using Computational Chemistry Packages (CCP) simple and straightforward .
• Sketch in molecules using its advanced 3D Structure Builder, or load in molecules from standard files.
• Set up and submit CCP jobs right from the interface, and monitor their progress as they run.
• Examine calculation results graphically via state-of-the-art visualization features: display molecular orbitals and other surfaces, view spectra, animate normal modes, geometry optimizations and reaction paths.
• Molecular Dynamics using Amber 99 molecular mechanics or Semi-Empirical potentials

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