Table 1 Software packages implementing the NEF
From: NMR Exchange Format: a unified and open standard for representation of NMR restraint data
Software package | Category | Principal investigator or representative |
|---|---|---|
AMBER | Molecular dynamics (with NMR restraints) | D.A. Case |
CYANA | Automated assignment and structure determination | P. Güntert |
UNIO | Automation from spectral acquisition to structure | T. Herrmann |
CS-ROSETTA | Structure determination from chemical shifts | O. Lange |
NMR-STAR converter | Format conversion | J.L. Markley, E.L. Ulrich |
ASDP | Automated NOESY cross-peak assignment | G.T. Montelione, Y.J. Huang |
PSVS and PDBStat | Structure validation | G.T. Montelione, R. Tejero, Y.J. Huang |
ARIA and CNS | Structure determination and refinement | M. Nilges, B. Bardiaux |
XPLOR-NIH | Structure determination and refinement | C.D. Schwieters |
CCPN FormatConverter | Format conversion | W.F. Vranken |
CCPN | Data modeling, spectral analysis, format conversion, integration of other NMR software | G.W. Vuister, R.H. Fogh |
CING | Structure validation | G.W. Vuister |
CS23D | Structure determination from chemical shifts | D. Wishart |
PROSESS and RESPROX | Structure validation | D. Wishart |
