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Assignment Software (7)
Prediction Software (10)
Processing Software (13)
Simulation Software (8)
Spectrometer Operation (4)
Structure Calculation Software (7)
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    Science > Chemistry > Software  (260)

Web Pages
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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.
  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
  Linux4Chemistry http://www.redbrick.dcu.ie/~noel/linux4chemistry/
Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.
  NMR pipe http://spin.niddk.nih.gov/bax/software/NMRPipe/
A very easy to use NMR data processing software package.
  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.
  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
  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.
  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.
  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
  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
  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.
  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.
  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.
  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.
  Roland Stenutz's Homepage http://www.stenutz.eu/conf/jhh.html
A few nice Karplus and Pachler calculators. Downloadable
  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.
  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.
  http://www.rowland.org/rnmrtk/vince.html http://www.rowland.org/rnmrtk/vince.html
A Program for Displaying Protein NOE Data

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