NOEs in the N-state model

Another data type which can be used to evaluate dynamics ensembles is the NOE. This is not used in optimisation but rather is used to calculate NOE constraint violations. These violations are then compared to evaluate the ensemble. In the stereochemistry auto-analysis, these violations will also be converted to Q factors to allow direct comparison with RDC Q factors.



The relax user manual (PDF), created 2016-10-28.