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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 2024-09-13