Linux4Chemistry
- Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.
- http://www.redbrick.dcu.ie/~noel/linux4chemistry/
NMR software
- 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.
- http://nmrl.ioc.ac.ru/software.htm
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://tigger.uic.edu/~gfp/qnmr/
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/
HMMER
- Sequence analysis using profile hidden Markov models. Useul for Proteins.
- http://hmmer.wustl.edu/
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/
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
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/no
- http://www.cmrr.umn.edu/downloads/index.shtml
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
NMR pipe
- A very easy to use NMR data processing software package.
- http://spin.niddk.nih.gov/bax/software/NMRPipe/
GAMMA
- C++ library for simulation of Magnetic Resonance experiments.
- http://gamma.ethz.ch/
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
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
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/
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
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
Ad Bax Group and NIH
- TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
- http://spin.niddk.nih.gov/bax/software/
VINCE
- A Program for Displaying Protein NOE Data
- http://www.rowland.org/rnmrtk/vince.html