raspnmr

We have hosted the application raspnmr in order to run this application in our online workstations with Wine or directly.

Quick description about raspnmr:

RASP uses structure-based chemical shift predictions to solve the backbone resonance assignment problem in protein NMR spectroscopy. This enables rapid determination of highly accurate assignments on the basis of minimal experimental datasets, even for spectroscopically challenging proteins.

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.

RASP is described here:
MacRaild and Norton (2014) RASP: Rapid and robust backbone chemical shift assignments from protein structure. J Biomol NMR doi: 10.1007/s10858-014-9813-7.

Audience: Science/Research, Advanced End Users.
User interface: Command-line.
Programming Language: Python.
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