Gromacs GUI

Gromacs GUI is a graphical user interface for widely used molecular dynamics package, GROMACS. The current version is 0.5 and is written in C++/Qt4.

The GUI is useful but far from perfect. I want to develop a feature-full GUI, but to that point, lots of work have to be done. I will add other features gradually.

Main Features:

  1. File browsing and management with customizable right-click pop up menu.
  2. Graphical interfaces for GROMACS commands (currently 21 commands have their own interfaces).
  3. Plot drawing tool which can export plots to pdf.
  4. A simple built-in console.
  5. Built-in GROMACS manual viewer.
  6. Built-in file editor with syntax highlighting for some GROMACS file formats (currently only mdp format is supported).
  7. MDP Writer section to easily create your mdp files.

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Download

Introduction Slideshow

Feedback and Bug Report

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Future Plans:

  • Add a pdb and trajectory viewer.
    I am waiting for the final release of KDE4. It has a molecular viewer which can be used very easily through kpart technology. There are also other options like OpenMOIV (which provides very smooth visualization and animation) and BALLView. This feature will be probably introduced in version 0.7 .
  • Improvement of internal command execution interface. (in version 0.6)
  • Improvement of console. (in version 0.6)
  • Improvement of file browser.(in version 0.6)
  • Completion of commands interfaces. (in versions 0.6 and 0.7)

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Known Bugs:

  1. Clicking on an anchor in manual viewer makes whole program crash. [It is because the use of Q3TextBrowser. The Qt4 version (QTextBrowser) was not able to show online manual correctly.]
  2. Directory browser shows wrong root directory when current selected item is deleted externally.
  3. Built-in console does not work correctly with some interactive commands (like pdb2gmx).



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