Gabedit

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Gabedit is a Graphical User Interface to GAMESS (US) , Gaussian, Molcas, Molpro and MPQC computational chemistry packages.

[edit] Major features

  • builds molecules by atom, ring, group, amino acid and nucleoside.
  • Creates input file for GAMESS (US), Gaussian, Molcas, Molpro and MPQC.
  • Reads output from the ab initio packages GAMESS (US), Gaussian, Molcas, Molpro and MPQC, 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.

[edit] External links