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Gabedit


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OS: Linux, Windows, Mac

License: Freeware





Gabedit is a free graphical user interface for 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.
Simulated Annealing with Molecular Dynamics is implemented in Gabedit (using Amber 99 molecular mechanics parameters).

The computational chemistry packages supported by Gabedit are : Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess and Q-Chem.
ADF and other softwares (through the gabedit and molden format files) are partially sopported by Gabedit.

http://gabedit.sourceforge.net/



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