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19 lines
831 B
Plaintext
19 lines
831 B
Plaintext
Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US,
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Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem
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computational chemistry packages.
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Features:
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* Gabedit makes using Computational Chemistry Packages (CCP) simple and
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straightforward .
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* Sketch in molecules using its advanced 3D Structure Builder, or load in
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molecules from standard files.
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* Set up and submit CCP jobs right from the interface, and monitor their
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progress as they run.
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* Examine calculation results graphically via state-of-the-art visualization
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features: display molecular orbitals and other surfaces, view spectra, animate
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normal modes, geometry optimizations and reaction paths.
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* Molecular Dynamics using Amber 99 molecular mechanics or Semi-Empirical
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potentials.
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WWW: http://gabedit.sourceforge.net/
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