Rahul Sharma (Editor)

Gabedit

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Developer(s)
  
A.R. ALLOUCHE

License
  
BSD License

Type
  
Molecular modelling

Gabedit

Stable release
  
2.4.7 / August 2013; 3 years ago (2013-08)

Repository
  
sites.google.com/site/allouchear/Home/gabedit/download

Operating system
  
OS Portable (Source code to work with many OS platforms)

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 input file for GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, Orca and Q-Chem.
  • Reads output from the ab initio packages GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, Orca and Q-Chem, 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.

    • References

    Gabedit Wikipedia
    (Text) CC BY-SA