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• Science: Chemistry: Software  (215)

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 tenso.

IUNMR Software - - Software developed for NMR at I.

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

Mathcad - - Documents for Teaching NM.

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. Downloadabl.

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 calculatio.

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.

VINCE - - A Program for Displaying Protein NOE Dat.

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