We have developed a new program for simulation of liquid state NMR experiments. The software is named QSim and is available at: www.bpc.lu.se/QSim

    QSim has a graphical user interface, and pulse sequences are set up graphically. Pulse sequence elements that can be simulated include gradients, shaped pulses and decoupling sequences. Spin systems with any NMR-active nuclei can be simulated. Relaxation is included in all parts of simulations. First order chemical exchange may be included in simulations. Simulations are performed using quantum mechanical or classical mechanics. Processing may be performed in the program and 1D and 2D spectra plotted.


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Magnus Helgstrand
Dept. of Biophysical Chemistry
Lund University
Box 124
SE-221 00 Lund
Sweden

Phone: +46-46-2228173

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