The software package was later extended to include additional NMR conformational parameters, such as Residual Dipolar Couplings (RDC), NOE distance restraints, and pseudocontact chemical shifts (PCS).
The name CS-ROSETTA for this branch of ROSETTA stems from its origin in combining backbone chemical shift (CS) data with ROSETTA structure prediction protocols, which allowed accurate predictions of 3D protein structures up to 15 kDa in size. 3.4 Protocol for running CS-ROSETTA at CABMĬS-ROSETTA is a framework for structure calculation of biological macromolecules on the basis of conformational information from NMR, which is build on top of the biomolecular modeling package ROSETTA.3.3 Running CS-Rosetta on U2 cluster at SUNY Buffalo.
