Gabedit is a free graphical user interface for computational chemistry packages.
Gabedit makes using Computational Chemistry Packages (CCP) simple and
The computational chemistry packages supported by Gabedit are : Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PCGamess and Q-Chem.ADF
- 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/Conformational search with Molecular Dynamics is implemented in Gabedit using Amber 99 molecular mechanics or Semi-Empirical potentials.
and other softwares (through the gabedit and molden format files) are partially sopported by Gabedit.