Directory > Science > Chemistry > Nuclear Magnetic Resonance > Software > Structure Calculation Software DINOSAUR A free Fortran suite of programs for structure refinement using direct NMR nOe restraints. http://www.nmr.chem.uu.nl/~abonvin/software.html Reviews Rating: Not yet Rated
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MARDIGRAS is a FORTRAN program for calculating proton-proton distances from cross-peak intensities measured from a 2D NOE experiment. http://picasso.ucsf.edu/mardihome.html Reviews Rating: Not yet Rated
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CYANA Combined assignment and dynamics algorithm for NMR applications; a program package for the structure calculation of macromolecules based on NMR, for sale. http://www.guentert.com/ Reviews Rating: Not yet Rated
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ARIA Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation. http://www.pasteur.fr/recherche/unites/Binfs/aria/ Reviews Rating: Not yet Rated
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X-PLOR A free Fortran molecular dynamics package with several NMR refinement options including using nOe data as a potential energy term. http://xplor.csb.yale.edu/xplor-info/ Reviews Rating: Not yet Rated
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GROMOS Molecular dynamics for the study of biomolecular systems, including the derivation of 3D molecular structure from NMR data. http://igc.ethz.ch/gromos/ Reviews Rating: Not yet Rated
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SSIA - Simulation of Sterically Induced Alignment Tensor A program for predicting the magnitude and orientation of a sterically induced alignment tensor http://spin.niddk.nih.gov/bax/software/SSIA/index.html Reviews Rating: Not yet Rated
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Spectrum Research, LLC. Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries. http://www.specres.com Reviews Rating: Not yet Rated
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LinuxNMR A guide to use free available programs for the structure elucidation of proteins http://www.nmrfam.wisc.edu/~volkman/LinuxNMR/index.html Reviews Rating: Not yet Rated
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MORASS analyzes 2D NMR NOESY data from oligonucleotides and proteins to evaluate cross-relaxation rates from which interproton distances are obtained http://www.nmr.utmb.edu/#mrass Reviews Rating: Not yet Rated
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