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Next: Requirements Up: Analysis of the Nonbonded Previous: Analysis of the Nonbonded

Syntax

DISTance { $<$distance-statement$>$ }
is invoked from the main level of X-PLOR. The END statement activates execution.
$<$distance-statement$>$:==
CUTOFf=$<$real$>$
is an upper distance cutoff: distances less than CUTOff and less than the list cutoff (CUTNB) are analyzed.
CUTON=$<$real$>$
is a lower distance cutoff.
DISPosition=$<$MATRix$\vert$PRINt$\vert$RMSD$>$
specifies how distances
will be stored or printed. RMSD stores the minimum nonbonded distance for each atom in the first atom selection to all atoms in the second atom selection in the RMSD atom property. PRINt writes all selected nonbonded distances to standard output. MATRix stores all selected, nonbonded distances in a matrix and then writes the matrix to the specified output file.
FROM=$<$selection$>$
specifies the first atom selection (default: (ALL) ).
OUTPut=$<$filename$>$
specifies a file for the distance matrix (only for DISPosition=MATRix) (default: OUTPUT).
TO=$<$selection$>$
specifies the second atom selection.


Xplor-NIH 2025-03-21