Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.

Features

  • Gabedit makes using Computational Chemistry Packages (CCP) simple and straightforward .
  • Sketch in molecules using its advanced 3D Structure Builder, or load in molecules from standard files.
  • Set up and submit CCP jobs right from the interface, and monitor their progress as they run.
  • Examine calculation results graphically via state-of-the-art visualization features: display molecular orbitals and other surfaces, view spectra, animate normal modes, geometry optimizations and reaction paths.
  • Molecular Dynamics using Amber 99 molecular mechanics or Semi-Empirical potentials

Project Samples

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License

BSD License

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User Reviews

  • very good project, thanks!

  • simple and straight forward to use

  • Good chemistry software. Clean and functional interface

  • Good interface

  • The best open-source computational chemistry software.

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Additional Project Details

Intended Audience

Education, Science/Research

User Interface

OpenGL, Win32 (MS Windows), X Window System (X11)

Programming Language

C

Registered

2006-02-21