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    Science > Chemistry > Nuclear Magnetic Resonance > Software

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    Edusoft-NMR software

    A very large list of NMR software
    http://www.nmr.embl-heidelberg.de/NMR/PUBSoftware.html

    Roland Stenutz's Homepage

    A few nice Karplus and Pachler calculators. Downloadable
    http://www.kemi.slu.se/~stenutz/

    Mathcad

    Documents for Teaching NMR
    http://science.widener.edu/svb/nmr/mcad_nmr.html

    IUNMR Software

    Software developed for NMR at IU
    http://nmr.chem.indiana.edu/software.html

    Babel - A Molecular Structure Information Interchange Hub

    A program designed to interconvert a number of file formats currently used in molecular modeling.
    http://smog.com/chem/babel/

    VINCE

    A Program for Displaying Protein NOE Data
    http://www.rowland.org/rnmrtk/vince.html

    Ad Bax Group and NIH

    TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
    http://spin.niddk.nih.gov/bax/software/

    Model

    Vizualization of molecules given in some common file formats (includes a conversion option).
    http://www.jens-meiler.de/model.html

    NMR Tutorial

    A free downloadable nmr tutorial. Software contains proton and C-13 shifts for over 100 compounds in database with room for notes and user-interactive 3D structures.
    http://www.upb.pitt.edu:89/index.htm

    NMR related Software Available

    From UCSF, nice list, good selection.
    http://picasso.nmr.ucsf.edu/New/download.html

    Viewit Cookbook

    Viewit is a NMR viewing and NMR date processing software package with many capabilities. This is the on-line software manual. with many very simple and elegant solution to processing problems.
    http://bmrl.med.uiuc.edu:8080/CookBook.html
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    Software by Klaus Eichele

    Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
    http://casgm3.anorg.chemie.uni-tuebingen.de/klaus/soft/index.html

    Advanced Chemistry Development

    Provides a wide set of desktop and on-line software for chemists and educators: NMR, IR, UV, MS, drawing and modelling, chromatography, naming, comprehensive databases and predictions.
    http://www.acdlabs.com/

    SPSCAN

    SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface.
    http://gaudi.molebio.uni-jena.de/~rwg/spscan/

    IBS: LRMN Software Developments

    Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
    http://www.ibs.fr/ext/labos/LRMN/softs/welcome.htm

    NMR Software list

    A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
    http://www.chem.uni-potsdam.de/linkcenter/nmrsoft.html

    GAMMA

    C++ library for simulation of Magnetic Resonance experiments.
    http://gamma.ethz.ch/

    NMR pipe

    A very easy to use NMR data processing software package.
    http://spin.niddk.nih.gov/bax/software/NMRPipe/

    Wuthrich group NMR software

    A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
    http://www.mol.biol.ethz.ch/groups/wuthrich_group/software

    Software packages developed at the CMRR

    Stimulate - multifunctional image analysis tool, PhysioFix - adjust for respiration and cardio effects, PhysioFix for Matlab, Cluster_prob - clustered pixel probability, Sarcalc - energy used by your pulse sequence, MTM - Multi-Taper Methods for signal/no
    http://www.cmrr.umn.edu/downloads/index.shtml

    Chemical shift (J) to Dihedral angle converter

    This is a web-based program that converts the chemical shift from NMR spectra to the dihedral (torsional) angle to assist in molecular modelling which uses the Karplus equations to perform the calculations.
    http://www.jonathanpmiller.com/Karplus.html

    Quantitative NMR

    A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
    http://qnmr.org/

    Search by keyword:

  • assignment software
  • prediction software
  • processing software
  • simulation software
  • spectrometer operation
  • structure calculation software
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