Software Nuclear Magnetic Resonance Chemistry

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• Software by Klaus Eichele - Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot.
  
• IBS: LRMN Software Developments - Software: CURVE3D, visualisation of 3D surface. TENSOR, determination of the rotational diffusion tensor
  
• Roland Stenutz's Homepage - A few nice Karplus and Pachler calculators. Downloadable
  
• Quantitative NMR - A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR.
  
• relax - A program for analyzing NMR data for the study of the dynamics of proteins and other macromolecules.
  
• VINCE - A Program for Displaying Protein NOE Data
  
• 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.
  
• 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.
  
• Linux4Chemistry - Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.
  
• Mathcad - Documents for Teaching NMR
  
• Ad Bax Group and NIH - TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.
  
• 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.
  
• IUNMR Software - Software developed for NMR at IU
  
• 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.
  
• 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
  
• Wuthrich group NMR software - A list of various software packages including: ATNOS, AUTOPSY, GARANT, MOUMOL, RADAR, and XEASY
  
• 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.
  
• NMR Software list - A large and useful list of NMR software, processing, assignment, and simulation. From University of Potsdam.
  
• GAMMA - C++ library for simulation of Magnetic Resonance experiments.
  
• NMR pipe - A very easy to use NMR data processing software package.
  
• Babel - A Molecular Structure Information Interchange Hub - A program designed to interconvert a number of file formats currently used in molecular modeling.
  
  

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