Comparative Recall (CR)
The Comparative Recall (CR) metric assesses a pair of protein structure models against experimental NOESY and chemical shift data, and identifies NOESY peaks that, considering any possible NOESY peak assignment consistent with the chemical shift data, can be explained by the model. In this analysis, “recall violations” for a given model are the experimental NOESY data that are inconsistent with the model, as previously described (Huang et al., 2005; Huang et al., 2012). Comparing a pair of structures (e.g. an AF model and an experimental NMR model), the CR analysis allows identification of the experimental NOESY data supporting both models, and the specific data supporting only one or the other model.
Huang, Y.J., Powers, R., and Montelione, G.T. (2005). Protein NMR recall, precision, and F-measure scores (RPF scores): structure quality assessment measures based on information retrieval statistics. Journal of the American Chemical Society 127(6), 1665-1674. doi:https://doi.org/10.1021/ja047109h.
Huang, Y.J., Rosato, A., Singh, G., and Montelione, G.T. (2012). RPF: a quality assessment tool for protein NMR structures. Nucleic Acids Research 40(Web Server issue), W542-546. doi:https://doi.org/10.1093/nar/gks373.
How to run CR
- Run RPF for each model: https://montelionelab.chem.rpi.edu/rpf/
- Download the RPF results (zip file, please don't rename the zip file)
- Run Comparative Recall Analysis on Colab: https://colab.research.google.com/drive/1ALfz5VaFEupI7ggl0oTm3qbJX4R5JZsg?usp=sharing