Structure Calculation Software
Links
MORASS
http://www.nmr.utmb.edu/#mrass
analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained
LinuxNMR
http://www.nmrfam.wisc.edu/~volkman/LinuxNMR/index.html
A guide to use free available programs for the structure elucidation of proteins
Spectrum Research, LLC.
Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.
SSIA - Simulation of Sterically Induced Alignment Tensor
http://spin.niddk.nih.gov/bax/software/SSIA/index.html
A program for predicting the magnitude and orientation of a sterically induced alignment tensor
X-PLOR
http://xplor.csb.yale.edu/xplor-info/
A free Fortran molecular dynamics package with several NMR refinement options including using nOe data as a potential energy term.
ARIA
http://www.pasteur.fr/recherche/unites/Binfs/aria/
Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation.
MARDIGRAS
http://picasso.ucsf.edu/mardihome.html
is a FORTRAN program for calculating proton-proton distances from cross-peak intensities measured from a 2D NOE experiment.
DINOSAUR
http://www.nmr.chem.uu.nl/~abonvin/software.html
A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.