Tutorials: Difference between revisions

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== Example calculations ==
== Example calculations ==


=== Basic structure calculation ===
* [[Basic structure calculation starting from given restraints]]
 
* [[Structure calculation using manually assigned NOESY peak lists]]
 
* [[Structure calculation with automated NOESY assignment]]
  read upl demo.upl # read upper distance bounds
* [[Structure calculations using residual dipolar coupling restraints]]
  read aco demo.aco # read dihedral angle restraints
* [[Structure calculations using pseudocontact shift restraints]]
 
* [[Various additional tasks]]
  calc_all 50 steps=4000 # calculate conformers
* [[Examples of input files]]
 
  overview demo.ovw structures=10 pdb # analyze and write best conformers

Revision as of 13:59, 29 January 2009