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Author:
Sean Fleming
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Introduction
GDIS is a GTK based program for the display and manipulation of isolated molecules and periodic systems. It is in development, but is nonetheless quite functional. It has the following features:- Support for many common file formats (eg CIF, PDB, XTL, XYZ).
- OpenGL rendering.
- Assorted tools for visualization (measurements, ribbons, polyhedral display).
- Useful manipulation tools, including matrix transformations and supercell construction.
- Powerful surface generation and crystal morphology tools.
- Diffraction pattern generation and plotting.
- Animation and movie generation for multi-frame files.
- Analysis of Molecular Dynamics simulations.
- Model rendering (courtesy of POVRay)
- Energy minimization (courtesy of GULP)
- Morphology calculation (courtesy of cdd)
- Space group processing (courtesy of SgInfo)
- View the Periodic Table (courtesy of GPeriodic)
Although developed on a RedHat Linux platform, GDIS has been successfully compiled under IRIX, Solaris, OpenBSD, and OS-X. I've even built a Window's executable using the mingw32 cross-compiler!
The source code is released under the GPL.
Development versions
If you have CVS installed, you can obtain the very latest version of GDIS by typing:cvs -d:pserver:anonymous@gdis.cvs.sourceforge.net:/cvsroot/gdis login
Hit enter at the password prompt, then type:
cvs -z3 -d:pserver:anonymous@gdis.cvs.sourceforge.net:/cvsroot/gdis co gdis
which should create a subdirectory called gdis containing all the source files.
Molecular modelling links
Simple end user linux (science)
Scientific Applications on linux
Software
for crystallography
Linux
4 Chemistry
Marvin's program
Empirical potential database