Table 1. Features of the programs used in CASD-NMR2010.

Y indicates this type of information is directly used in structure calculations, s indicates that it is used as a support to derive additional restraints and/or to improve scoring. Details are given in the Methods section.

Software	NOEs	Chemical shifts*	Comments
CYANA	Y	s	Includes torsion angle restraints generated on the basis of the chemical shift values
UNIO	Y	s	Includes torsion angle restraints generated on the basis of the chemical shift values
ARIA	Y	s	Includes torsion angle restraints generated on the basis of the chemical shift values
ASDP	Y	s	Includes torsion angle restraints generated on the basis of the chemical shift values; uses the DP-score measure (Huang et al., 2005) to re-rank the structural models
Cheshire-Yapp	s	Y	Uses structural models initially generated using only CS data to assign NOEs, derive distance restraints and refine the best-scoring initial 100 models
CS-DP-Rosetta	s	Y	Uses the unassigned NOESY peak lists and the DP-score measure (Huang et al., 2005) to re-rank the structural models
Cheshire		Y
CS-Rosetta		Y

^*Used as direct structural restraints, rather than to derive secondary structure information or torsion angle restraints