$!  Program to match different coordinate sets, and output 
$!  either RMS differences, or WORKCD file rotated and translated 
$! to orientation of REFRCD file.
$!  Possible to do this on a different ranges of residues.
$!
$!  Also can be used to rotate coordinates using known 
$! ROTATION and TRANSLATION parameters.
$!
$if f$search("CCP4_SCR:toxd_1.pdb") .eqs. "" then goto term
$!
$ass/user ccp4_master:[ccp4.examples.toxd]toxd.pdb workcd
$ass/user CCP4_SCR:toxd_1.pdb refrcd
$ass/user CCP4_SCR:rub.pdb lsqop
$lsqkab
title I don't know what to use as a title
FIT WATOM   1 TO 10000 
MATCH 1 to  10000
#
output  XYZ    # ! output file LSQOP with new coords
end
$!
$!   OR
$ass/user ccp4_master:[ccp4.examples.toxd]toxd.pdb workcd
$Ass/user CCP4_SCR:toxd_1.pdb refrcd
$ass/user CCP4_SCR:rub.tab rmstab
$lsqkab
title  I don't know what to use as a title
# !  1,20 residue numbers, WRES for Working coordinates..
# !  1,20 residue numbers, RRES for Reference coordinates..
FIT WRES ALL 1 TO 20
MATCH  RRES ALL 1 TO 20
FIT WRES CA 31 TO 59 
MATCH  RRES CA 31 TO 59
output  RMS    # ! output file RMSTAB with differences
end
$!
$!  lsqkab being used to apply a rotation & translation
$!  Alternative: use PDBSET
$ass/user ccp4_master:[ccp4.examples.toxd]toxd.pdb workcd
$ass/user CCP4_SCR:toxd_rot_trans.pdb lsqop
$lsqkab
title Rotating model by almn angles
ROTAT EULER  37.7 40.5 30.3
TRAN FRAC 0.36905 0.44048 0.27083
output  XYZ    # ! output file LSQOP with new coords
fit WATOM 1 to 10000
end
$exit
$term:
$write sys$output "! run refmac.com first"