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Next: Paramagnetic Pseudocontact Shift Restraint Up: Distance Calculation from Paramagnetic Previous: Distance Calculation from Paramagnetic


Syntax 

XT1D {<T1-statement>} END
<T1-statement>:==
   KINPut <name> <real> <name>
           ! inputFile Kvalue outputFile.
           ! Kvalue is the proportionality constant between the
           ! relaxation rate and the metal-nucleus distance.
           ! The outputFile contains calculated distance restraints.
   STRUcture <name> <name> <name>
           ! PDBFile inputFile outputFile.
           ! Where a structure is already available, Kvalue can be
           ! calculated using this command.


Xplor-NIH 2025-11-07