See also:

• Science: Chemistry: Software  (231)

Ad Bax Group and NIH  spin.niddk.nih.gov/bax/software TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.

Advanced Chemistry Development  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.

Babel - A Molecular Structure Information Interchange Hub  smog.com/chem/babel A program designed to interconvert a number of file formats currently used in molecular modeling.

Chemical shift (J) to Dihedral angle converter  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  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.

GAMMA  gamma.ethz.ch C++ library for simulation of Magnetic Resonance experiments.

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

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

Linux4Chemistry  www.redbrick.dcu.ie/~noel/linux4chemistry Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.

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

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

NMR software  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.

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

Quantitative NMR  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.

relax  nmr-relax.com A program for analyzing NMR data for the study of the dynamics of proteins and other macromolecules.

Roland Stenutz's Homepage  www.stenutz.eu/conf/jhh.html A few nice Karplus and Pachler calculators. Downloadable

Software by Klaus Eichele  anorganik.uni-tuebingen.de/klaus/soft/index.php Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.

Software packages developed at the CMRR  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

SPSCAN  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.

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

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