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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=MATRixPRINtRMSD
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).