Supported Applications

RASPnmr

Description

(Protein NMR backbone resonance assignment) uses structure-based chemical shift predictions to solve the backbone resonance assignment problem in protein NMR spectroscopy to enable rapid determination of highly accurate assignments on the basis of minimal experimental datasets, even for spectroscopically challenging proteins.
Usage
To list all executables provided by RASPnmr, run: $ sbgrid-list raspnmr
Usage Notes

RASP takes as input spin systems assembled on the basis of an arbitrary set of conventional triple-resonance NMR experiments. Uniquely, RASP is capable of extensive assignments even in the abscence of Cbeta chemical shift information: over a test set of 154 proteins RASP assigns 88 % of residues with an accuracy of 99.7 %, using only information available from HNCO and HNCA spectra.
Installation
Use the following command to install this title with the CLI client: $ sbgrid-cli install raspnmr Available operating systems: Linux 64, OS X INTEL
Primary Citation*

C. A. MacRaild and R. S. Norton. 2014. RASP: Rapid and robust backbone chemical shift assignments from protein structure. Journal of Biomolecular NMR. 58(3): 155-163.
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