Gabedit
Gabedit is a graphical interface for the Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess, and Q-Chem computational chemistry packages. It includes a 3D molecule editor and viewer. Most major molecular file formats are supported, and graphics can be exported in many formats.
| Tags | Scientific/Engineering Chemistry Visualization |
|---|---|
| Licenses | BSD Revised |
| Operating Systems | Windows Windows Windows POSIX Linux Unix |
| Implementation | C |
Recent releases
- 29 May 2009 20:04
Changes: Minor bugs have been fixed. All geometric changes can now be undone and redone. The user has complete control over the bonds displayed in a drawing. The user can set the value of the distance, bond angle, and dihedral angle. A Molecular dynamics conformational search is implemented using an MM potential (Amber 99) or a Semi-Empirical potential (from Open Mopac or PCGamess). Migration from GDK drawing functions to Cairo provides cross-device rendering for vector graphics. Geometry and curves can be exported in EPS, PS, PDF, or SVG file formats.
- 19 Jul 2008 23:47
Changes: Minor bugs were fixed. Gabedit can draw ECD spectrum. You can export the OpenGL window in an EPS, PS, PDF, or SVG file. The user can change the coordinates (in an XYZ editor), bond, angle, and diherdral (in a Z-matrix editor) directly from the list of the editor. Gabedit can create slides for several orbitals with one click. Under Unix, the user can run gamess without any changes to the scripts of gamess. Gabedit can load the EPS charges from a mopac output file if one is available.
- 07 Sep 2007 11:03
Changes: Bugs were fixed. PCGamess and Q-Chem are now supported. The ONIOM method of Gaussian is now supported. Simulated Annealing with Molecular Dynamics is implemented in Gabedit (using Amber 99 molecular mechanics parameters). New windows for draw IR, Raman, NMR, and UV/Visible spectrum are implemented.
- 19 May 2006 10:50
Changes: Bugs were fixed. Gamess-US, Gaussain, Molcas, Molpro, and MPQC are now supported.
- 31 Jan 2005 03:00
Changes: Bugs were fixed. Gaussain, Molcas, Molpro, and MPQC are now supported. This version can now create a Povray file for geometry, surfaces (including color-coded surfaces) and contours (color-coded). It can now visualize several surfaces, and can now display hydrogen bonds.
