# # Copyright (C) 1999-2004 Liz Potterton, Peter Briggs # # This code is distributed under the terms and conditions of the # CCP4 Program Suite Licence Agreement as a CCP4 Library. # A copy of the CCP4 licence can be obtained by writing to the # CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK. # #CCP4i_cvs_Id $Id$ { [IfSet $TITLE] } title $TITLE IF { [regexp FIT $SUPERPOSE_MODE ] } LOOP n 1 $N_MATCHS CASE $FIT_SEL_MODE($n) CASEMATCH ATOM 1 fit atom $FIT_ATOML_1($n) to $FIT_ATOML_2($n) - {[IfSet $FIT_CHAIN($n)]} chain $FIT_CHAIN($n) 1 match $MATCH_ATOML_1($n) to $MATCH_ATOML_2($n) - {[IfSet $MATCH_CHAIN($n)]} chain $MATCH_CHAIN($n) CASEMATCH RES 1 fit res $RES_MODE($n) $FIT_RES_1($n) to $FIT_RES_2($n) - {[IfSet $FIT_CHAIN($n)]} chain $FIT_CHAIN($n) 1 match $MATCH_RES_1($n) to $MATCH_RES_2($n) - {[IfSet $MATCH_CHAIN($n)] } chain $MATCH_CHAIN($n) ENDCASE ENDLOOP ENDIF IF { [regexp MOVE $SUPERPOSE_MODE ] } {[IfSet $ROTATE_ALPHA]} rotate eulerian $ROTATE_ALPHA $ROTATE_BETA $ROTATE_GAMMA {[IfSet $TRANSLATE_X] } translate $TRANSLATE_X $TRANSLATE_Y $TRANSLATE_Z ENDIF 1 output - { $IFOUTPUTXYZ } xyz - { $IFOUTPUTRMS } rms - { $IFOUTPUTDELTAS } deltas { $IFRADIUS } radius $RADIUS_CUTOFF - { [regexp COORDS $SUPERPOSE_RADIUS_MODE] } $RADIUS_X $RADIUS_Y $RADIUS_Z 1 end