Links for NMR software

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
    • Tutorials of CcpNmr Analys
    • CcpNMR Biomolecular NMR Wiki
  • Rowland NMR toolkit
  • 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
  • SSP – Secondary Structural Propensities (Forman-Kay group)
  • TALOS+ (Ad Bax group)
  • SPARTA+ (Ad Bax group)
  • RCI–Random Coil Index (David Wishart group)
  • DANGLE (Dihedral Angle from Global Likelihood Estimation)
• NMR structure calculation
  • Xplor-NIH
  • Cyana
  • 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
  • Arthur Palmer’s home-made programs:
    • Modelfree, Curvefit, CPMGfit…
  • David Wishart’s chemical shift calculations
    • ShiftX, ShiftY, ShiftZ
  • RDC
    • Pales
    • RedCat
  • Relaxation calculations
    • Tensor
    • HydroNMR / HydroPro
    • Relax
• Molecular viewers
  • MOLMOL
  • PyMOL
    • official site
    • PyMOL wiki
    • manual
    • PyNMR extension
  • VMD (Visual Molecular Dynamics)
  • Rasmol
• 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, Mac. 10, 2012