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Gabedit |
| version 2.1.8 |
| About Gabedit |
Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess and Q-Chem.
Gabedit is a graphical interface for Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, PCGamess and Q-Chem computational chemistry packages. It can display a variety of calculation results including support for most major molecular file formats. The advanced "Molecule Builder" allows to rapidly sketch in molecules and examine them in 3D. Graphics can be exported to various formats, including animations.
Requirements
This application requires GTK+ version 2.6.x.
Other dependencies include:
OpenGL or Mesa3D
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| Latest Version: 2.1.8 |
Here is a list of the significant changes between 2.1.8 and 2.1.4:
1) Minor bugs were fixed.
2) Gabedit can draw ECD spectrum.
3) You can EXPORT the opengl window in a eps, ps, pdf and svg file.
4) The user can change the coordinates (in XYZ editor), bond, angle and diherdral (in Z-matrix editor) directly from the list of the editor. Gabedit recalculate the bond, angle and dideral angle value after a change of the atomic connectivity index.
5) The user can set a title for the openGL window (Set/Title)
6) Gabedit can create slides for several orbitals by one click(Orbitals/Slideshow).
7) Under unix, the user can run gamess without any changes to the scripts of gamess.
8) Gabedit load the eps charges from a mopac output file(last geometry) if these is available.
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