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{ xrefin-map-statement } END
is an xrefin statement. Action takes place as soon as the END
statement is issued.
xrefin-map-statement:==
AUTOmatic=logical
is a flag indicating that
automatic scaling is performed. The electron density map
will have an average of zero and a standard deviation () of one
(default: TRUE).
CUSHion=real
specifies additional cushioning
around the
molecule in Å. Only for EXTEnd=MOLEcule mode
(default: 2.0 Å).
EXTEnd=MOLEcule UNIT BOX
is a mode for
boundary specification (default: MOLEcule). In MOLEcule
mode, the map covers the selected atoms of
the molecule. In UNIT mode, the whole unit cell is written.
In BOX mode, the user can specify the boundaries
of a cubic box in orthogonal Å.
FORMatted=logical
is a flag that indicates whether
a formatted (FORM=TRUE) or binary (FORM=FALSE) file is
written (default: TRUE).
IOUTput=filename
is a filename
for the imaginary portion of the electron density map;
it works only when HERMitian is set to FALSE (cf.
Section 13.3) (default:
no output).
OUTPut=filename
is the filename
for the real portion of the electron density map (default:
standard output).
SELEction=selection
selects atoms
for EXTEnd=MOLEcule mode. This selection is
independent from the selection in the xrefin statement.
The map is written to
cover the selected atoms (default:
all).
XMAX
is only for EXTEnd=BOX mode; it specifies
upper x boundary of box in orthogonal Å (default: 1.0).
XMIN
is only for EXTEnd=BOX mode; it specifies
lower x boundary of box in orthogonal Å (default: 0.0).
YMAX
is only for EXTEnd=BOX mode; it specifies
upper y boundary of box in orthogonal Å (default: 1.0).
YMIN
is only for EXTEnd=BOX mode; it specifies
lower y boundary of box in orthogonal Å (default: 0.0).
ZMAX
is only for EXTEnd=BOX mode; it specifies
upper z boundary of box in orthogonal Å (default: 1.0).
ZMIN
is only for EXTEnd=BOX mode; it specifies
lower z boundary of box in orthogonal Å (default: 0.0).