Chemistry: Nuclear Magnetic Resonance: Software

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Home : Chemistry : Nuclear Magnetic Resonance : Software

CATEGORIES:

Assignment Software (6)

Prediction Software (8)

Processing Software (17)

Simulation Software (6)

Spectrometer Operation (6)

Structure Calculation Software (9)

LINKS:

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

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.

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.

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

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

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

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

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

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

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

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.

NMR Tutorial
http://www.upb.pitt.edu:89/index.htm
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.

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

Roland Stenutz's Homepage
http://www.kemi.slu.se/~stenutz/
A few nice Karplus and Pachler calculators. Downloadable

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

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

SPSCAN
http://gaudi.molebio.uni-jena.de/~rwg/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.

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.

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

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

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