# # 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 $THRESHHOLD] } threshhold - $THRESHHOLD_RMS rms - 1 $THRESHHOLD - $NEGATIVES NEGATIVES { [IfSet $NUMPEAKS ] } numpeaks $NUMPEAKS { $PATTERSON_VECTORS } patterson $IFFRACOUT output brookhaven frac {[IfSet $BFACTOR] } bfactor $BFACTOR $OCCUPANCY {[IfSet $RESIDUE] } residue $RESIDUE {[IfSet $ATNAME] } atname $ATNAME {[IfSet $CHAIN] } chain $CHAIN { $OUTPUT_XML } XMLOUT