gabedit online with Winfy

We have hosted the application gabedit in order to run this application in our online workstations with Wine or directly.


Quick description about gabedit:

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


Audience: Education, Science/Research.
User interface: OpenGL, Win32 (MS Windows), X Window System (X11).
Programming Language: C.

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