Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
- 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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