The analysis of residual dipolar couplings (RDCs) for structure validation and elucidation.
REDCAT is a software package for the analysis of residual dipolar couplings (RDCs) for structure validation and elucidation. In addition to basic utilities to solve for order tensors and back-calculate couplings from a given order tensor and proposed structure, a number of improved algorithms have been incorporated. These include the proper sampling of the Null-space (when the system of linear equations is under-determined), more sophisticated filters for invalid order-tensor identification, error analysis for the identification of the problematic measurements, and simulation of the effects of dynamic averaging processes. REDCAT is a user-friendly program with excellent performance. The modular implementation of REDCAT's algorithms, with separation of the computational engine from the graphical engine, allows for flexible and easy command line interaction.
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