Submitted by olange on Fri, 04/20/2012 - 14:56
In the all-atom representation of ROSETA every atom is explicitly represented. What is notable is that proton-names are quite different from what is used in the NMR community (http://www.bmrb.wisc.edu/referenc/nomenclature/). There are two main differences: a) if only 2 protons are present on an sp3 hybridized carbon Rosetta numbers them 1, 2 whereas the NMR community numbers them 2, 3.
