From Wikipedia, the free encyclopedia
Jump to navigation Jump to search
A screenshot of Gabedit 2.0.1
Developer(s)A.R. ALLOUCHE
Stable release
2.5.0 / July 10, 2017; 22 months ago (2017-07-10)
Repository Edit this at Wikidata
Operating systemOS Portable (Source code to work with many OS platforms)
TypeMolecular modelling
LicenseBSD 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]