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CATEGORIES:

Assignment Software (4)

Prediction Software (9)

Processing Software (10)

Simulation Software (6)

Spectrometer Operation (3)

Structure Calculation Software (8)

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Ad Bax Group and NIH
TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
http://spin.niddk.nih.gov/bax/software/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Advanced Chemistry Development
Provides a wide set of desktop and on-line software for chemists and educators: NMR, IR, UV, MS, drawing and modeling, chromatography, naming, comprehensive databases and predictions.
http://www.acdlabs.com/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Dmfit and EditNMR Programs
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.
http://crmht-europe.cnrs-orleans.fr/dmfit/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

GAMMA
C++ library for simulation of Magnetic Resonance experiments.
http://gamma.ethz.ch/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

IBS: LRMN Software Developments
Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
http://eva.ibs.fr/ext/labos/LRMN/softs/welcome.htm
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

iNMR: the NMR application for Mac OS X
A complete set of instructions, manuals, tips and tricks about using the software called iNMR. which runs on Mac's. Not for PC's.
http://www.inmr.net/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Linux4Chemistry
Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.
http://www.redbrick.dcu.ie/~noel/linux4chemistry/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Mathcad
Documents for Teaching NMR
http://science.widener.edu/svb/nmr/mcad_nmr.html
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Mestrelab Research
Mestrelab develops Mnova (former MestReC); a NMR and Mass Spectroscopy (LC/GC/MS) processing and analysis software suite for chemists and educators
http://mestrelab.com/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

NMR pipe
A very easy to use NMR data processing software package.
http://spin.niddk.nih.gov/bax/software/NMRPipe/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

NMR software
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.
http://nmrl.ioc.ac.ru/software.htm
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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://tigger.uic.edu/~gfp/qnmr/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

relax
A program for analyzing NMR data for the study of the dynamics of proteins and other macromolecules.
http://nmr-relax.com
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Roland Stenutz's Homepage
A few nice Karplus and Pachler calculators. Downloadable
http://www.stenutz.eu/conf/jhh.html
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Software by Klaus Eichele
Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
http://anorganik.uni-tuebingen.de/klaus/soft/index.php
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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/noise analysis, FAST MAP - magnet shimming tool, NMR Kitchen - software based on product operator calculation
http://www.cmrr.umn.edu/downloads/index.shtml
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

Spartan - calculated and experimental NMR spectra
Wavefunction Spartan is a general purpose chemistry software tool that includes a feature to calculate NMR spectra.
http://www.computational-chemistry.co.uk/Spectroscopy.html
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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://www.personal.uni-jena.de/~b1glra/spscan/manual/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0) Rate It Review It

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