Tutorials: Difference between revisions
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<div style="column-count:2;-moz-column-count:2;-webkit-column-count:2"> | <div style="column-count:2;-moz-column-count:2;-webkit-column-count:2"> | ||
* [[Residue library file]] | * [[Residue library file]] (.lib) | ||
* [[Sequence file]] | * [[Sequence file]] (.seq) | ||
* [[Distance restraint file]] | * [[Distance restraint file]] (.upl, .lol) | ||
* [[Torsion angle restraint file]] | * [[Torsion angle restraint file]] (.aco) | ||
* [[Residual dipolar coupling restraint file]] | * [[Residual dipolar coupling restraint file]] (.rdc) | ||
* [[Pseudocontact shift restraint file]] | * [[Pseudocontact shift restraint file]] (.pcs) | ||
* [[DG Cartesian coordinate file]] | * [[DG Cartesian coordinate file]] (.cor) | ||
* [[PDB coordinate file]] | * [[PDB coordinate file]] (.pdb) | ||
* [[Torsion angle file]] | * [[Torsion angle file]] (.ang) | ||
* [[XEASY chemical shift list file]] | * [[XEASY chemical shift list file]] (.prot) | ||
* [[BMRB chemical shift list file]] | * [[BMRB chemical shift list file]] (.bmrb) | ||
* [[XEASY peak list file]] | * [[XEASY peak list file]] (.peaks) | ||
* [[NMRView peak list file]] | * [[NMRView peak list file]] (.xpk) | ||
</div> | </div> | ||
Revision as of 13:07, 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 (.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)