The chemistry-computer laboratory is operated under the LINUX operating system openSUSE 12.1. In addition to the standard KIZ software installation, for example,

• Standard packages openSUSE 12.1 incl. OpenOffice
•  KDE and GNOME desktops (user interfaces)
•  Maple (computer algebra)
•  Mathlab (data analysis and visualisation system)
•  Mathematica (computer algebra)
•  PGI (Portland Group Compiler Suite)
•  NAG C- and FORTRAN libraries

There is the following chemical software available:

Chemical information and database:

• Cambridge Structural Database (donation of Dr. Barbara Mez-Starck-Foundation Freiburg): database for organic and organometallic crystal structures
• Mercury 3.0 (crystal structure visualisation)
• Vista 2.1 (spreadsheet program for statistical analysis of crystal data)
• IsoStar (module of the Cambridge Structural Database about intermolecular interactions, e.g. in protein crystals)

Computational chemistry, molecular modeling and visualisation:

• http://www.gaussian.com/Gaussian 03 (program package for quantum chemical calculations)
• GaussView 4.1.2  (graphical user interface for Gaussian 03)
• Molpro 2006.1 (quantum chemistry program)
• Orca 2.6.35 (quantum chemistry program with emphasis in spectroscopy)
• Dacapo 2.7.7 (total energy program based on density functional theory)