Tutorials: Difference between revisions
Jump to navigation
Jump to search
| Line 10: | Line 10: | ||
== File formats == | == File formats == | ||
<div style="column-count:3;-moz-column-count:3;-webkit-column-count:3"> | |||
* [[Residue library file]] | * [[Residue library file]] | ||
* [[Sequence file]] | * [[Sequence file]] | ||
* [[Distance restraint file]] | * [[Distance restraint file]] | ||
* [[Torsion angle restraint file]] | * [[Torsion angle restraint file]] | ||
* [[Residual dipolar coupling restraint file]] | * [[Residual dipolar coupling restraint file]] | ||
* [[Pseudocontact shift restraint file]] | * [[Pseudocontact shift restraint file]] | ||
* [[DG Cartesian coordinate file]] | * [[DG Cartesian coordinate file]] | ||
* [[PDB coordinate file]] | * [[PDB coordinate file]] | ||
* [[Torsion angle file]] | * [[Torsion angle file]] | ||
* [[Chemical shift list file]] | * [[Chemical shift list file]] | ||
* [[XEASY peak list file]] | * [[XEASY peak list file]] | ||
* [[NMRView peak list file]] | * [[NMRView peak list file]] | ||
</div> | |||
Revision as of 14:05, 29 January 2009
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