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 COMParison REFErence 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) ).