A worldwide e-Infrastructure for NMR and structural biology

RPF

RPF uses a novel, rapid, and simple approach for calculating global NMR structure quality scores. This program calculates RECALL, PRECISION, and F-MEASURE (RPF) scores assessing how well the query 3D structure(s) fit to the experimental NOESY peak list and resonance assignment data. RPF scores quickly assess the goodness-of-fit of the query structure(s) to these experimental data, and can be used as a guide for further structure refinements. RPF also calculates discrimination power(DP) scores, which estimate the difference in F-MEASURE scores between the query structure and "random coil" structures, as an indictor of the correctness of the overall fold.

Download sample data: input files (need to unzip), sample results for upload (keep it as a zip file)

 


 

Precomputed results (zip file) *

 

Fill in the fields below and click submit.  
Protein Name: *
BMRB:
PDB:
2D NOESY
3D 15N NOESY
3D C13 aro
d2O Solution
3D C13 ali
d2O Solution
Water suppr: ppm-ppm
3D C13 NOESY
d2O Solution
Water suppr: ppm-ppm
4D C-C NOESY
d2O Solution
Water suppr: ppm-ppm
* Required parameters

 

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And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.

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The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572