Gabedit

{{refimprove|date=May 2016}}

{{Infobox software

|name = Gabedit

|logo =

|screenshot = Gabedit.jpg

|caption = A screenshot of Gabedit 2.0.1

|developer = A.R. ALLOUCHE

|latest release version = 2.5.1

|latest release date = {{Start date and age|2021|07|27}}

|operating system = OS Portable (Source code to work with many OS platforms)

|genre = Molecular modelling

|license = MIT License

|website = {{URL|http://gabedit.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