Tutorials

Example calculations

• Basic structure calculation starting from given restraints
• Structure calculation using manually assigned NOESY peak lists
• Structure calculation with automated NOESY assignment
• Structure calculations using residual dipolar coupling restraints
• Structure calculations using pseudocontact shift restraints
• Various additional tasks

Input file formats

• Residue library file (.lib)
• Sequence file (.seq)
• Distance restraint file (.upl, .lol)
• Torsion angle restraint file (.aco)
• Residual dipolar coupling restraint file (.rdc)
• Pseudocontact shift restraint file (.pcs)
• DG Cartesian coordinate file (.cor)
• PDB coordinate file (.pdb)
• Torsion angle file (.ang)
• XEASY chemical shift list file (.prot)
• BMRB chemical shift list file (.bmrb)
• XEASY peak list file (.peaks)
• NMRView peak list file (.xpk)