Science: Chemistry: Nuclear_Magnetic

Science: Chemistry: Nuclear_Magnetic_Resonance: Software

Simulation Software (8)
Spectrometer Operation (4)
Structure Calculation Software (8)

See also:

Science: Chemistry: Software (243)

Ad Bax Group and NIH
TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.

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.

Babel - A Molecular Structure Information Interchange Hub
A program designed to interconvert a number of file formats currently used in molecular modeling.

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.

Compilation of Educational NMR Software
Version 1.6.2beta, compiled and gathered by Peter Lundberg.

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.

GAMMA
C++ library for simulation of Magnetic Resonance experiments.

HMMER
Sequence analysis using profile hidden Markov models. Useul for Proteins.

IBS: LRMN Software Developments
Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor

IUNMR Software
Software developed for NMR at IU

Mathcad
Documents for Teaching NMR

NMR pipe
A very easy to use NMR data processing software package.

NMR Software list
A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.

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.

Quantitative NMR
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
A few nice Karplus and Pachler calculators. Downloadable

Software by Klaus Eichele
Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.

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

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
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
A Program for Displaying Protein NOE Data

Wuthrich group NMR software
A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY

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