# # 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 $Id$ 1 Y CASE $INPUT_MODE CASEMATCH min 1 _FILE_L $BONDLIST_FILE 1 _MON $CHEM_COMP_ID { !$SEARCH} _SRCH N CASEMATCH pdb 1 _FILE_PDB $PDBIN { !$SEARCH} _SRCH 0 CASEMATCH MOL2 1 _FILE_MOL $MOL2IN CASEMATCH SMILES 1 _FILE_SMILE $SMILESIN 1 _MON $CHEM_COMP_ID ENDCASE $FROMCOOR _COOR Y #$NODIST _NODIST Y 1 _FILE_O $FILE_OUT $IFREFINE _REF - $IFREFMAC S 1 _END