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

Web Sitesi

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

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 Whois Check

 


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