Syntax

MAP

{ $<$fiber_refin-map-statement$>$ } END This is a fiber_refin-statement. Computation takes place as soon as the END statement is issued.

$<$fiber_refin-map-statement$>$:==

OUTPut=$<$filename$>$

Name of the map file (default: standard output).

GRID=$<$real$>$

Sets grid size of the electron density map.

AUTOmatic=$<$logical$>$

indicates whether automatic scaling is performed. The electron density map will have an average of zero and a $\sigma$ of one (default: true).

EXTEnd=MOLEcule $\vert$ SUBUnit $\vert$ BOX

defines boundary type for the electron density map (default: MOLEcule). In MOLEcule type, the map will cover the selected atoms of the molecule. In SUBUnit type, the whole subunit is written. In BOX type, the user can explicitly specify the boundaries of a cubic box in orthogonal Å.

CUSHion=$<$real$>$

Specifies additional ``cushioning'' around the molecule in Å. Only for EXTEnd=MOLEcule mode (default: 2.0 Å).

SELEction=$<$selection$>$

Selects atoms for EXTEnd=MOLEcule mode. The map will be written such that it covers the selected atoms (default: all).

XMIN

sets lower x boundary of the BOX type electron density map in orthogonal Å (default: 0.0)

XMAX

sets upper x boundary of the BOX type electron density map in orthogonal Å (default: 1.0)

YMIN

sets lower y boundary of the BOX type electron density map in orthogonal Å (default: 0.0)

YMAX

sets upper y boundary of the BOX type electron density map in orthogonal Å (default: 1.0)

ZMIN

sets lower z boundary of the BOX type electron density map in orthogonal Å (default: 0.0)

ZMAX

sets upper z boundary of the BOX type electron density map in orthogonal Å (default: 1.0)