Tutorials: Difference between revisions
Jump to navigation
Jump to search
| Line 1: | Line 1: | ||
== Example calculations == | == Example calculations == | ||
Download [[Media:Cyana-3.0-demo.zip|input data files] for example calculations. | |||
* [[Basic structure calculation starting from given restraints]] | * [[Basic structure calculation starting from given restraints]] | ||
Revision as of 10:54, 2 June 2009
Example calculations
Download [[Media:Cyana-3.0-demo.zip|input data files] for example calculations.
- Basic structure calculation starting from given restraints
- Structure calculation using manually assigned NOESY peak lists
- Structure calculation with automated NOESY assignment
- Homodimer structure calculation with automated NOESY assignment
- Structure calculations using residual dipolar coupling restraints
- Structure calculations using pseudocontact shift restraints
- Various additional tasks
- Analyze a structure
- Angle restraints based on CA chemical shifts
- Create restraints for disulfide bonds
- Systematic local conformation analysis
- Create restraints for hydrogen bonds
- Merge multiple restraints files
- Migrate data from Cyana 1.x or Dyana
- Migrate data from Xplor or CNS
- Modify upper distance limits
- NOE statistics and plots
- Prepare files for PDB and BMRB deposition
- Create restraints to close flexible PRO rings
- Ramachandran plot and rotamer restraints
- Renumber chemical shifts and peaks
- Calculate RMSD values and mean structures
- Angle restraints from the program TALOS
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)