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Science > Chemistry > Nuclear Magnetic Resonance > Software

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Assignment Software (7)
Prediction Software (10)

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Science > Chemistry > Software (260)

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

	Ad Bax Group and NIH - http://spin.niddk.nih.gov/bax/software/ TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
	http://gamma.ethz.ch/ - http://gamma.ethz.ch/ C++ library for simulation of Magnetic Resonance experiments.
	IUNMR Software - http://nmr.chem.indiana.edu/software.html Software developed for NMR at IU
	http://nmr-relax.com - http://nmr-relax.com A program for analyzing NMR data for the study of the dynamics of proteins and other macromolecules.
	http://science.widener.edu/svb/nmr/mcad_nmr.html - http://science.widener.edu/svb/nmr/mcad_nmr.html Documents for Teaching NMR

	http://www.rowland.org/rnmrtk/vince.html - http://www.rowland.org/rnmrtk/vince.html A Program for Displaying Protein NOE Data
	Roland Stenutz's Homepage - http://www.stenutz.eu/conf/jhh.html A few nice Karplus and Pachler calculators. Downloadable
	http://www.personal.uni-jena.de/~b1glra/spscan/manual/ - 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.
	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.
	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.

	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.
	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.
	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
	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

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

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