Here is a page I create to show links of some NMR software, most of them are official sites. Several of them are not directly related to NMR, but they are the programs I am/was using and recommend people to use.
- NMR data process and analysis
- Bruker’s Topspin (Mac OS X supported since April 2011)
- Agilent (Varian) VnmrJ (Mac OS X supported since version 3.2)
- NMRPipe/TALOS/ACME/Dynamo:
- official site
- Tutorials by Gabriel Cornilescu : I and II
- Yahoo group
- NMRView/NMRViewJ
- Sparky
- official site
- official manual
- SCAssign (from Daiwen Yang’s group)
- Felix (commercial product)
- CcpNmr Suite
- Rowland NMR toolkit
- nmrglue (never test, thanks for Roger Bunivot’s suggestion, Nov 24, 2012)
- Cara (computer aided resonance assignment)
- official site
- manual/wiki
- AutoLink
- SideLink
- NMR data auto-assignment
- SmartNoteBook (old program, out of dated)
- AutoAssign
- PINE webserver supported by NMRFAM
- Mars
- UNIO ’10 (a complete package for backbone and side-chain assignments and automated structure calculation using Cyana, CNS or Xplor-NIH)
- Analysis of Secondary Structure using/for Chemical Shifts
- NMR structure calculation
- Xplor-NIH
- Cyana (or here?)
- CNS (Crystallography and NMR system)
- AuotStructure
- ARIA (Ambiguous Restraints for Iterative Assignment)
- PONDEROSA (NMRFAM: peak picking of NOE data enabled by restriction of shift assignments)
- HADDOCK
- CS-Rosetta(at Ab Bax group webpage)
- requires Rosetta Commons from David Baker’s group
- ENSEMBLE package (Lewis Kay group)
- Analysis/Calculations of NMR parameters
- Molecular viewers
- Structural analysis (protein mainly, nucleic acid?)
- PDBsum (Procheck, ligplot, PISA)
- POLYVIEW-2D, POLYVIEW-3D
- MolProbity from the Richardson’s group
- CING (Common Interface for NMR structure generation)
- PSVS (Protein Structure Validation Software) from the Montelione’s group at Rutgers University
updates: (Feb. 13. 2011), (May. 12, 2011), (Oct 15, 2011), (Mar. 10, 2012), (Sept 28, 2012), (Nov 24, 2012)
thank you for sharing so much interesting things! I also should provide some useful information on my own blog to make it more attactive.
Comment by Haina — November 20, 2007 @ 10:16 pm |
Thanks a lot. I was searching for some nmr software in ssNMR and came across this site. Quite useful one. Great.
Comment by Jayanthi — May 7, 2009 @ 11:06 am |
Thank you for this list, I have not seen nmrglue, maybe you can have a look at it and add it
https://code.google.com/p/nmrglue/
nmrglue is a module for working with NMR data in Python. When used with the NumPy, SciPy, and matplotlib packages nmrglue provides a robust environment for rapidly developing new methods for processing, analyzing, and visualizing NMR data. nmrglue also provides a framework for connecting existing NMR software packages
Comment by roger bunivot — November 23, 2012 @ 11:06 am |
Howdy, I think your site could possibly be having internet browser compatibility problems.
Whenever I take a look at your site in Safari, it looks fine however, when opening in I.E., it’s got some
overlapping issues. I simply wanted to provide you with a quick heads up!
Apart from that, wonderful blog!
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Structural Calculations
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