NMR Software

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Revision as of 17:46, 9 April 2008 (edit) Neelsb (Talk | contribs) (→Spectral Analysis Programs) ← Previous diff		Revision as of 17:46, 9 April 2008 (edit) (undo) Neelsb (Talk | contribs) (→Spectral Analysis Programs) Next diff →
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	===Spectral Analysis Programs===		===Spectral Analysis Programs===
-	[[CARA]][http://www.nmr.ch]]	+	[[CARA]][http://www.nmr.ch]
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	[[Sparky - NMR Assignment Program]]		[[Sparky - NMR Assignment Program]]

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Revision as of 17:46, 9 April 2008

This page is for collecting references on NMR and related software. Information that should be placed here: description, paper reference as well as some publication citing the use of software, download url, set-up instructions etc.

Each piece of software can have it's own separate page and perhaps additional pages linked from within, if necessary.

Posts from the original authors are greatly appreciated.

Data Acquisition

vnmr Varian, Inc. spectrometer software

TopSpin Bruker BioSpin Gmbh spectrometer software

Delta Jeol Ltd. spectrometer software

Data Processing

NMRPipe

SpinWorks 1D and 2D NMR processing and simulation package.

Perch

Mnova

iNMR processing, analysis and simulation for Mac OS X

Spectral Analysis Programs

CARA[1]

Sparky - NMR Assignment Program

Analysis

Structure Calculation

NIH-XPLOR (calculation of 3D structures using NMR restraints and X-Ray Crystallography data)

Macromodel (interactive molecular modeling system)

TALOS (uses measured ¹³C chemical shifts of Cα and Cβ carbons and known database values to predict φ and ψ backbone dihedral angles)

Automated assignment programs

Atnos/Candid (assigns raw unpicked NOESY spectra, bundled with structure calculation software automatically generates structure ensembles)

MARS (rapid reliable automatic assignment of protein backbone resonances)

Relaxation and dynamics analysis

relax (Protein dynamics by NMR relaxation data analysis)

Modelfree4 (A program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data)

DASHA (Model-Free Analysis of Protein Dynamics from Heteronuclear NMR Relaxation Data)

Data validation software

QUEEN (calculates information content in NOE restraints; reliably identifies most important restraints in large restraint tables)

Simulation Programs

GAMMA (a C++ library for NMR simulations)

SIMPSON (an open source general simulation program for solid-state NMR using compiled C and a TCL interface)

SPINEVOLUTION (a general NMR experiment simulation program)

Virtual NMR Spectrometer (program for simulation of nmr experiments)

External Links

NMR Software for MAC OS_X

One more MAC OS_X software link