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A Flexible Tool for Visualization and Assignment of NMR Tensorial Interaction in Molecular Structures

Version 1.0.0,  Nov 20. 2001

Welcome to the SIMMOL download and info page. If you are working with solid-state NMR (or with residual anisotropic interactions in liquid-state NMR) and proteins you have come to the right place. SIMMOL is a flexible tool for handling visualization and definition of spin systems on large protein structures. The Tcl-controlled SIMMOL program reads in atomic coordinates in the PDB format from which it generates typical or user-defined parameters for the chemical shift, J coupling, quadrupolar coupling, and dipolar coupling tensors. You may download SIMMOL on this page. Enjoy.
  Mads Bak, Robert Schultz, Thomas Vosegaard, and Niels Chr. Nielsen
Laboratory for Biomolecular NMR
Aarhus, Denmark.
Oct 25, 2000.


SIMMOL is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

When presenting work where SIMMOL was used please cite the JMR paper (M. Bak, R. Schultz, T. Vosegaard, and N. C. Nielsen, J. Magn. Reson. 154, 28-45 (2002)).


SIMMOL binaries/source code (Binaries for Mac now available, courtesy of Andrew Lipton.)
SIMMOL documentation
SIMMOL examples


For visualization of the SIMMOL specified geometries, download Geomview.

SIMMOL/SIMPSON Discussion Forum

As SIMMOL user you may wish to visit the SIMMOL/SIMPSON Discussion Forum where you may get help or help others with SIMPSON/SIMPSON related things.