Sean Fleming

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GDIS is a scientific visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures. It is in development, but is nonetheless quite functional. It has the following features:
  • Support for many common file formats (CIF, PDB, XTL, XYZ, and many more).
  • Job submission tools for computational chemistry packages: GAMESS, GULP, ReaxMD, and SIESTA.
  • Job analysis and graphing tools for dynamics simulations.
  • Useful manipulation tools, including matrix transformations and supercell construction.
  • Powerful surface generation and crystal morphology tools.
  • Diffraction pattern generation and plotting.
  • Animation of multi-frame files.
  • Assorted tools for visualization (measurements, ribbons, polyhedral display).
GDIS also allows you to perform the following functions through other packages:
  • Model raytracing (courtesy of POVRay)
  • Movie generation (courtesy of FFmpeg)
  • Space group processing (courtesy of SgInfo)
  • View the Periodic Table (courtesy of GPeriodic)

Although developed on a Linux platform, GDIS has been successfully compiled under IRIX, Solaris, OpenBSD, OS-X, and even Windows.

The source code is released under the GPL.