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| Web Sites |
Ad Bax Group and NIH
TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
http://spin.niddk.nih.gov/bax/software/
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Advanced Chemistry Development
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.
http://www.acdlabs.com/
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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/
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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
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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/
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GAMMA
C++ library for simulation of Magnetic Resonance experiments.
http://gamma.ethz.ch/
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HMMER
Sequence analysis using profile hidden Markov models. Useul for Proteins.
http://hmmer.wustl.edu/
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IBS: LRMN Software Developments
Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
http://www.ibs.fr/ext/labos/LRMN/softs/welcome.htm
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IUNMR Software
Software developed for NMR at IU
http://nmr.chem.indiana.edu/software.html
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Mathcad
Documents for Teaching NMR
http://science.widener.edu/svb/nmr/mcad_nmr.html
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Model
Vizualization of molecules given in some common file formats (includes a conversion option).
http://www.jens-meiler.de/model.html
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NMR pipe
A very easy to use NMR data processing software package.
http://spin.niddk.nih.gov/bax/software/NMRPipe/
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NMR related Software Available
From UCSF, nice list, good selection.
http://picasso.nmr.ucsf.edu/New/download.html
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NMR Software list
A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
http://www.chem.uni-potsdam.de/linkcenter/nmrsoft.html
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NMR Tutorial
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.
http://www.upb.pitt.edu:89/index.htm
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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://qnmr.org/
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Roland Stenutz's Homepage
A few nice Karplus and Pachler calculators. Downloadable
http://www.kemi.slu.se/~stenutz/
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Software by Klaus Eichele
Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
http://casgm3.anorg.chemie.uni-tuebingen.de/klaus/soft/index.html
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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
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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/
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Viewit Cookbook
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.
http://bmrl.med.uiuc.edu:8080/CookBook.html
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VINCE
A Program for Displaying Protein NOE Data
http://www.rowland.org/rnmrtk/vince.html
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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
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