From Wikipedia, the free encyclopedia
Jump to: navigation, search
A screenshot of Gabedit 2.0.1
Developer(s) A.R. ALLOUCHE
Stable release
2.4.8 / February 7, 2014; 3 years ago (2014-02-07)
Preview release
2.4.10 / March 10, 2017; 10 months ago (2017-03-10)
Repository Edit this at Wikidata
Operating system OS Portable (Source code to work with many OS platforms)
Type Molecular modelling
License BSD License

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[edit]

  • 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[edit]

External links[edit]