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Science > Chemistry > Nuclear Magnetic Resonance > Software

Categories
Assignment Software
Prediction Software
Processing Software
Simulation Software
Spectrometer Operation
Structure Calculation Software
 
Websites
 
  • Mathcad - http://science.widener.edu/svb/nmr/mcad_nmr.html
    • Documents for Teaching NMR
  • IUNMR Software - http://nmr.chem.indiana.edu/software.html
    • Software developed for NMR at IU
  • Babel - A Molecular Structure Information Interchange Hub - http://smog.com/chem/babel/
    • A program designed to interconvert a number of file formats currently used in molecular modeling.
  • VINCE - http://www.rowland.org/rnmrtk/vince.html
    • A Program for Displaying Protein NOE Data
  • Ad Bax Group and NIH - http://spin.niddk.nih.gov/bax/software/
    • TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
  • Viewit Cookbook - http://bmrl.med.uiuc.edu:8080/cookbook.html
    • 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.
  • Advanced Chemistry Development - http://www.acdlabs.com/
    • 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.
  • IBS: LRMN Software Developments - http://www.ibs.fr/ext/labos/lrmn/softs/welcome.htm
    • Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
  • NMR Software list - http://www.chem.uni-potsdam.de/linkcenter/nmrsoft.html
    • A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
  • GAMMA - http://gamma.ethz.ch/
    • C++ library for simulation of Magnetic Resonance experiments.
  • NMR pipe - http://spin.niddk.nih.gov/bax/software/nmrpipe/
    • A very easy to use NMR data processing software package.
  • Wuthrich group NMR software - http://www.mol.biol.ethz.ch/groups/wuthrich_group/software
    • A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
  • Software packages developed at the CMRR - http://www.cmrr.umn.edu/downloads/index.shtml
    • 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/noise analysis, FAST MAP - magnet shimming tool, NMR Kitchen - software based on product operator calculation
  • Chemical shift (J) to Dihedral angle converter - http://www.jonathanpmiller.com/karplus.html
    • 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.
  • Dmfit and EditNMR Programs - http://crmht-europe.cnrs-orleans.fr/dmfit/
    • The Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D datasets. Edit NMR program : file Viewer for NMR files.
  • SPSCAN - http://www.personal.uni-jena.de/~b1glra/spscan/manual/
    • SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface.
  • Quantitative NMR - http://tigger.uic.edu/~gfp/qnmr/
    • A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
  • NMR software - http://nmrl.ioc.ac.ru/software.htm
    • CALM is a DOS-based program for iterative analysis of high resolution NMR-spectra. And Coder 7 is a universal multi format NMR data converter. Handles both FIDs and spectra.
  • Linux4Chemistry - http://www.redbrick.dcu.ie/~noel/linux4chemistry/
    • Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.
  • relax - http://nmr-relax.com
    • A program for analyzing NMR data for the study of the dynamics of proteins and other macromolecules.
  • Software by Klaus Eichele - http://anorganik.uni-tuebingen.de/klaus/soft/index.php
    • Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
  • Roland Stenutz's Homepage - http://www.stenutz.eu/conf/jhh.html
    • A few nice Karplus and Pachler calculators. Downloadable

 
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