Software from the Clore group
Xplor-NIH: The Xplor-NIH NMR structure determination package which is distributed freely to academia from this site.
Schwieters, C.D., Kuszewski, J., Tjandra, N. & Clore, G.M. (2003) The Xplor-NIH NMR molecular structure determination package. J. Magn. Reson. 160, 66-74. Pubmed PDFSome example input files (please acknowledge source of scripts)
Xplor-NIH frequently asked questions
VMD-XPLOR: NMR Graphics package interfaced with Xplor-NIH which is distributed freely to academia from this site.
Schwieters, C.D. & Clore, G.M. (2001) The VMD-XPLOR visualization package for NMR structure refinement. J. Magn. Reson.149, 239-244. pubmed PDFSome example input files to create reweighted atomic probability density maps from an ensemble of structures.
Schwieters, C.D. & Clore, G.M. (2002) Reweighted atomic densities to represent ensembles of NMR structures. J. Biomol. NMR 23, 221-225. Pubmed PDF
PIPP/CAPP/STAPP: contact Dan Garrett directly (dgarrett@speck.niddk.nih.gov).
Garrett, D.S., Powers, R., Gronenborn, A.M. & Clore, G.M. (1991) A common sense approach to peak picking two-, three- and four-dimensional spectra using automatic computer analysis of contour diagrams. J. Magn. Reson. 95, 214-220
STEREOSEARCH Grid search program for obtaining stereoassignments.
Nilges, M., Clore, G.M. & Gronenborn, A.M. (1990) 1H-NMR stereospecific assignments by conformational database searches. Biopolymers 29, 813-822. pubmed
1H and 13C shift probabilities in proteins
TORSION ANGLE CORRELATIONS
protein phi/psi 2D torsion angle database potential surfaces
protein sidechain 2D torsion angle database potential surfaces
nucleic acid (DNA and RNA combined) 2D torsion angle database potential surfaces
includes NMRPipe, TALOS, SSIA, PALES and ACME
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