Links for NMR Software

下面关于NMR软件的收集拷贝自pkwu的博文Links for NMR Software.由于pkwu只有更新到12年底，我会根据我自己的目前的了解和查询添加修改相应的条目。

• NMR data process and analysis

• official site (now this site redirected to Swiss NMR, and here provides the nmr groups and nmr software in Swiss)

• manual/wiki [updated the links by me 2016]

• AutoLink

• matNMR (processing 1D and 2D NMR and EPR under MATLAB) [updated by me 2016]

• nmrglue [updated the links by me 2016] (developed by pure Python)

• Tutorials of CcpNmr Analys [updated the links by me 2016]

• CcpNMR Biomolecular NMR Wiki

• Protein NMR-Practical Guide [updated by me 2016]

• CcpNmr SpecView (visualise NMR spectrum and peak data, developed by Python) [updated by me 2016]

• official site

• official manual

• SCAssign (from Daiwen Yang’s group)

• NMRFAM-Sparky (from National Magnetic Resonance Facility at Madison, now NMRFAM is official center for developing, maintaining and distributing the new version of Sparky)[updated by me 2016]

• NMRFAM-SPARKY Video Tutorials in youtube.com (there have 35 video show) [updated by me 2016]

• NMRbox workshop (this workshop is for NMRbox, but there have many detail intro NMRFAM) [updated by me 2016]

• official site

• Tutorials by Gabriel Cornilescu : I and II

• Yahoo group

• Bruker’s Topspin  recently，Bruker address TopSpin processing software is free for academia and governmental institutions only，detial

• Agilent (Varian) VnmrJ 4.2, scince 201410 Agilent announced that NMR business was close, the NMR Community from Agilent ask for open the VnmrJ 4.2, now the Univerity of Oregen maintain the open source VnmrJ OpenVnmrJ, and offer the source code in github

• NMRPipe/TALOS/ACME/Dynamo:

• NMRView/NMRViewJ

• Sparky

• Felix (commercial product)

• CcpNmr Suite

• Rowland NMR toolkit

• developing Github

• Cara (computer aided resonance assignment) (from Professor Kurt Wuthrich's group)

• 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

• requires Rosetta Commons from David Baker’s group

• Xplor-NIH

• Cyana (or here?)

• Procedures for protein NMR structure calculation by 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)

• ENSEMBLE package (Lewis Kay group)

• Analysis/Calculations of NMR parameters

• Tensor

• HydroNMR / HydroPro

• Relax

• Pales

• RedCat

• ShiftX, ShiftY, ShiftZ

• Modelfree, Curvefit, CPMGfit…

• Arthur Palmer’s home-made programs:

• David Wishart’s chemical shift calculations

• RDC

• Relaxation calculations

• Molecular viewers

• official site

• PyMOL wiki

• manual

• PyNMR extension

• MOLMOL (no more maintained)

• PyMOL

• 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