Many molecules show temperature-dependent NMR spectra. The analysis of these spectra provides information about themodynamic data.

GEMNMR and XNMR support the simulation of these spectra. I developed GEMNMR in 1990 during my diploma thesis, XNMR in the early 90's during my PhD thesis in the research group Kreiter at the Technical University of Kaiserslautern, Germany.

Information on XNMR

XNMR is shareware for the X-Window-System (X11), capable of simulating exchange-broadened NMR spectra of molecules with up to nine chemical configurations. XNMR further supports up to a certain degree the processing of experimental data obtained with Bruker NMR spectrometers. Some basic features of XNMR are:

• Multiple datasets in multiple windows
• Lineshape analysis
• Stacked plots
• Scalable PostScript output
• Thermodynamic calculations

The ANSI C sources of XNMR are available for download. The main development platform was an Atari TT with System V Release 4 (ASV), and the software was successfully compiled and tested on the following platforms:

• Atari TT, System V Release 4.0/Linux
• IBM compatible PC, Linux
• IBM RS/6000, AIX 3.2.5
• MIPS, RISC/os 4.52
• SGI Iris Indigo/Indy, IRIX 5.x/6.x
• Sun 3, SunOS 4.1.1
• Sun Sparc, SunOS 4.1.3/Solaris 2.x

Information on GEMNMR

The GEMNMR shareware software runs under the GEM GUI and supports the simulation of exchange-broadened NMR spectra. The PC version requires a system with GEM/3 installed. For the Atari version no additional software is required.
GEMNMR without floating point processor support is freeware. The binaries are available for download:

• Atari version
• PC version for GEM/3