Gabedit

From Wikipedia, the free encyclopedia

This is an old revision of this page, as edited by Rfl0216 (talk | contribs) at 21:00, 19 August 2020 (Fix deprecated image syntax). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Gabedit
Developer(s)A.R. ALLOUCHE
Stable release
2.5.0 / July 10, 2017; 6 years ago (2017-07-10)
Repository
Operating systemOS Portable (Source code to work with many OS platforms)
TypeMolecular modelling
LicenseBSD License
Websitegabedit.sourceforge.net

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

External links