Web Directory

  Structure Calculation Software (9)

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Scalar Coupling Constant Open in a new windowLink Details
- Online calculation of proton-proton coupling constants from torsion angles or vice versa.
- http://www.stenutz.eu/conf/jhh.html

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DINOSAUR Open in a new windowLink Details
- A free Fortran suite of programs for structure refinement using direct NMR nOe restraints.
- http://www.nmr.chem.uu.nl/~abonvin/software.html

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ARIA Open in a new windowLink Details
- Ambiguous Restraints for Iterative Assignment; automated NOE assignment and NMR structure calculation.
- http://www.pasteur.fr/recherche/unites/Binfs/aria/

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X-PLOR Open in a new windowLink Details
- 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/

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GROMOS Open in a new windowLink Details
- Molecular dynamics for the study of biomolecular systems, including the derivation of 3D molecular structure from NMR data.
- http://igc.ethz.ch/gromos/

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SSIA - Simulation of Sterically Induced Alignment Tensor Open in a new windowLink Details
- A program for predicting the magnitude and orientation of a sterically induced alignment tensor
- http://spin.niddk.nih.gov/bax/software/SSIA/index.html

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Spectrum Research, LLC. Open in a new windowLink Details
- Develops and sells Computer Assisted Structure Eluicidation (CASE) programs to the pharmaceutical, biotech and chemical industries.
- http://www.specres.com

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LinuxNMR Open in a new windowLink Details
- A guide to use free available programs for the structure elucidation of proteins
- http://www.nmrfam.wisc.edu/~volkman/LinuxNMR/index.html

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MORASS Open in a new windowLink Details
- 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

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