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

File formats

• Residue library file
• Sequence file

• Distance restraint file
• Torsion angle restraint file
• Residual dipolar coupling restraint file
• Pseudocontact shift restraint file

• DG Cartesian coordinate file
• PDB coordinate file
• Torsion angle file

• Chemical shift list file
• XEASY peak list file
• NMRView peak list file