#!/bin/bash NP=`grep processor /proc/cpuinfo | wc -l` if [ $# -ge 1 ] then FILELST=$1 else FILELST=file.lst fi if [ $# -ge 2 ] then FILEGEOM=$2 else FILEGEOM=geom.geom fi if [ $# -ge 3 ] then FILECELL=$3 else FILECELL=cell.cell fi if [ $# -ge 4 ] then FILESTREAM=$4 else FILESTREAM=stream.stream fi if [ $# -ge 5 ] then MILLDIR=$5 else MILLDIR=unknown-mill fi # list of indexing methods : xgandalf-latt-cell,asdf-latt-cell,dirax-latt-cell,mosflm-latt-cell # but usually all is indexed by xgandalf (99.99%) # to speed up indexing, one can use : --xgandalf-fast-execution, --highres=1.6 ... if [ -e ${FILECELL} ] then indexamajig -i ${FILELST} \ -o ${FILESTREAM} \ --geometry=${FILEGEOM} \ --pdb=${FILECELL} \ --indexing=xgandalf-latt-cell \ --peaks=peakfinder8 \ --integration=rings-grad \ --tolerance=10.0,10.0,10.0,2,3,2 \ --threshold=10 \ --min-snr=5 \ --int-radius=2,3,6 \ -j ${NP} \ --no-multi \ --no-retry \ --check-peaks \ --max-res=3000 \ --min-pix-count=2 \ --local-bg-radius=4 \ --mille \ --mille-dir=${MILLDIR} else indexamajig -i ${FILELST} \ -o ${FILESTREAM} \ --geometry=${FILEGEOM} \ --indexing=xgandalf-latt-cell \ --peaks=peakfinder8 \ --integration=rings-grad \ --tolerance=10.0,10.0,10.0,2,2,2 \ --threshold=10 \ --min-snr=5 \ --int-radius=2,3,6 \ -j ${NP} \ --no-multi \ --no-retry \ --check-peaks \ --max-res=3000 \ --min-pix-count=2 \ --local-bg-radius=4 \ --mille \ --mille-dir=${MILLDIR} fi chmod -R g+rwx ${MILLDIR}