/gdis

A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures

Primary LanguageCGNU General Public License v2.0GPL-2.0

##GDIS, Copyright (C) 2000-2015 by Sean Fleming, Andrew Rohl

a.rohl@curtin.edu.au

GDIS comes with ABSOLUTELY NO WARRANTY.

This is free software. You are welcome to redistribute copies provided the conditions of the Version 2 GPL (GNU Public License) are met.

Although you are not required to do so, the authors would consider it a courtesy if you submit to them any changes you consider to be worthwhile. The goal would be to keep the development of GDIS more or less centralized.

###Installation

To install GDIS from source you need a working C compiler, gtk+2 and gtkglext. You then simply type:

./install

and follow the prompts. The script will check for the existence of gtk+2 and gtkglext and then compile GDIS. If you don't specify an install directory, the GDIS executable will be in the bin directory.

###Notes

Some cool features of GDIS are entirely due to the hard work that has gone into creating the following packages:

  1. CDD for the computation of halfspace intersections (morphology display). ©Komei Fukuda

  2. GPeriodic for pretty Periodic Table display and editing. ©1999 Kyle R. Burton

  3. SgInfo for Space Group generator lookup. ©1994-96 Ralf W. Grosse-Kunstleve

  4. Brute force symmetry analyzer. ©1996 S. Pachkovsky

There are a few optional packages that enhance the GDIS experience.

  1. For rendering (and subsequent image/movie viewing) you will need:

  2. Although GDIS supports output files from a large number of codes, input files can be created and run within GDIS for: