Syntax

MAP
{ $<$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 ($\sigma$) 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 $\vert$ UNIT $\vert$ 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).
Xplor-NIH 2023-11-10