Chemistry-Computer-Laboratory (LINUX)
The computer laboratory with its LINUX system is located in room O27/1404 and is equipped with chemistry relevant software. The laboratory is available to the students for training and free practicing. To enter the computer laboratory a valid chip card is needed (there are no fixed opening hours).
The computer laboratory consists of 16 Linux PCs (Intel Core i5-3470 Quad/CPU 3.2 GHz, 8 GB RAM, 23-inch screen) and one lecturer PC with a permanently connected video projector for presentations and demonstrations.
Software in the Chemistry Computer Laboratory (Linux)
The chemistry-computer laboratory is operated under the LINUX operating system. In addition to the standard KIZ software installation, for example,
- Standard packages openSUSE 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 (crystal structure visualisation)
- Vista (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: