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Next: Requirements Up: Write Coordinate Statement Previous: Write Coordinate Statement

Syntax

WRITe COORdinates { $<$write-coordinate-statement$>$ } END
is invoked from the main level of X-PLOR. The END statement activates writing of coordinates.
$<$write-coordinate-statement$>$:==
FROM=
MAIN $\vert$ COMParison $\vert$ REFErence $\vert$ DERIvative determines which combination of atomic properties is written to the file. MAIN corresponds to X, Y, Z, B, Q; COMParison corresponds to XCOMP, YCOMP, ZCOMP, BCOMP, QCOMP; REFErence corresponds to REFX, REFY, REFZ, HARM, HARM; and DERIvative corresponds to DX, DY, DZ, FBETA, FBETA (default: MAIN).
OUTPut=$<$filename$>$
specifies the output filename (default: OUTPUT).
SELEction=$<$selection$>$
writes coordinates of selected atoms to the file (default: (ALL) ).

Xplor-NIH 2025-03-21