Gabedit
From Wikipedia, the free encyclopedia
Page Module:Infobox/styles.css has no content.
| Gabedit | |
|---|---|
| Lua error in package.lua at line 80: module 'Module:InfoboxImage/data' not found. A screenshot of Gabedit 2.0.1 | |
| [[Programmer|DeveloperTemplate:Pluralize from text]] | A.R. ALLOUCHE |
| Engine | Page Template:Plainlist/styles.css has no content.Template:EditAtWikidata |
| Operating system | OS Portable (Source code to work with many OS platforms) |
| Type | Molecular modelling |
| License | MIT License |
| Website | gabedit |
| Repository | Page Template:Plainlist/styles.css has no content.
|
Script error: No such module "Check for conflicting parameters".
Gabedit is a graphical user interface to GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, ORCA and Q-Chem computational chemistry packages.
Major features
- Builds molecules by atom, ring, group, amino acid and nucleoside.
- Creates an input file for computational chemistry packages.
- Reads output from the ab initio packages, and supports a number of other formats.
- Displays molecular orbitals or electron density as contour plots or 3D grid plots and output to a number of graphical formats.
- Animates molecular vibrations, contours, isosurfaces and rotation.
See also
Lua error in mw.title.lua at line 404: bad argument #2 to 'title.new' (unrecognized namespace name 'Portal').
