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词条 Gabedit
释义

  1. Major features

  2. See also

  3. External links

{{refimprove|date=May 2016}}{{Infobox software
|name = Gabedit
|logo =
|screenshot =
|caption = A screenshot of Gabedit 2.0.1
|developer = A.R. ALLOUCHE
|latest release version = 2.5.0
|latest release date = {{Start date and age|2017|07|10}}
|operating system = OS Portable (Source code to work with many OS platforms)
|genre = Molecular modelling
|license = BSD 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

{{Portal|Free and open-source software}}
  • List of molecular graphics systems
  • PC GAMESS
  • ORCA
  • Quantum chemistry computer programs
  • SAMSON

External links

  • Gabedit official website
{{Chemistry software}}

4 : Computational chemistry software|Science software that uses GTK|Free chemistry software|Chemistry software for Linux

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