Software in the Chemistry Computer Laboratory (Linux)

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:

Computational chemistry, molecular modeling and visualisation: