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Science: Chemistry: Nuclear Magnetic Resonance: Software


 

Software

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Ad Bax Group and NIH

http://spin.niddk.nih.gov/bax/software/

TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information.

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Babel - A Molecular Structure Information Interchange Hub

http://smog.com/chem/babel/

A program designed to interconvert a number of file formats currently used in molecular modeling.

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Chemical shift (J) to Dihedral angle converter

http://www.jonathanpmiller.com/Karplus.html

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.

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GAMMA

http://gamma.ethz.ch/

C++ library for simulation of Magnetic Resonance experiments.

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IBS: LRMN Software Developments

http://www.ibs.fr/ext/labos/LRMN/softs/welcome.htm

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

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Model

http://www.jens-meiler.de/model.html

Vizualization of molecules given in some common file formats (includes a conversion option).

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NMR pipe

http://spin.niddk.nih.gov/bax/software/NMRPipe/

A very easy to use NMR data processing software package.

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Category for: Science: Chemistry: Nuclear Magnetic Resonance: Software