SD701 Open Directory

Top: Science: Chemistry: Nuclear_Magnetic_Resonance: Software:

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• Science: Chemistry: Software  (228)

» 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.




» 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.




» 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




» Linux4Chemistry - Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation.




» Mathcad - Documents for Teaching NMR




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




» 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.




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




» 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.




» 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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