ANSURR PDB scores About

ANSURR | Accuracy of NMR Structures Using RCI and Rigidity

ANSURR uses backbone chemical shifts to validate the accuracy of a protein structure. It works by comparing protein flexibility predicted from backbone chemical shifts with flexibility computed from a structure using the mathematical theory of rigidity. For more details please see our paper.

ANSURR can be installed on a Linux or Mac machine using pip (pip install ansurr). See for more information. A typical calculation on an ensemble of 20 models for a 150-residue protein takes less than a minute.

Precomputed ANSURR output for NMR protein structures in the PDB (as of November 2020) can be found here. See our paper outlining our analysis of these results.

For support, queries or suggestions please contact Nick Fowler.