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Structure Calculation Software

Science > Chemistry > Nuclear Magnetic Resonance > Software > Structure Calculation Software

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	http://www.nmr.utmb.edu/#mrass - 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
	Validate your protein model - http://www.cheshift.com/ A quantum mechanics database of 13C chemical shifts for protein structure validation.
	Spectrum Research, LLC. - http://www.specres.com Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.
	http://www.pasteur.fr/recherche/unites/Binfs/aria/ - http://www.pasteur.fr/recherche/unites/Binfs/aria/ Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation.
	LinuxNMR - http://www.nmrfam.wisc.edu/~volkman/LinuxNMR/index.html A guide to use free available programs for the structure elucidation of proteins

	Scalar Coupling Constant - http://www.stenutz.eu/conf/jhh.html Online calculation of proton-proton coupling constants from torsion angles or vice versa.
	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
	DINOSAUR - http://www.nmr.chem.uu.nl/~abonvin/software.html A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.

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