Table 1.
Software packages implementing the NEF
| 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 |