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)