7 Oct 1996
AQUA (v.1.0) written by Ton Rullmann. PROCHECK-NMR (v.3.4.3) written by Roman A Laskowski & Malcolm MacArthur. Contents 1. Introduction 2. How to run AQUA and PROCHECK-NMR 3. Input requirements 4. AQUA outputs and analysis tools 5. PROCHECK-NMR outputs 6. Customizing the PROCHECK-NMR plots 7. Selecting model- and residue-ranges 8. Viewing restraint violations in 3D References Appendix A - Brookhaven PDB file format Appendix B - AQUA restraint file formats Appendix C - Joining and splitting Appendix D - Circular variance and G-factors Sample plots
PROCHECK-NMR (v.3.4.3) written by Roman A Laskowski & Malcolm MacArthur. Contents 1. Introduction 2. How to run AQUA and PROCHECK-NMR 3. Input requirements 4. AQUA outputs and analysis tools 5. PROCHECK-NMR outputs 6. Customizing the PROCHECK-NMR plots 7. Selecting model- and residue-ranges 8. Viewing restraint violations in 3D References Appendix A - Brookhaven PDB file format Appendix B - AQUA restraint file formats Appendix C - Joining and splitting Appendix D - Circular variance and G-factors Sample plots