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lines changed Original file line number Diff line number Diff line change @@ -54,21 +54,22 @@ INFILE=$(ls $PROTEINS/*.${EXT} | sed -n ${IN}p)
5454OUT=$DOMAINS /CAZY/$( basename ${INFILE} .${EXT} )
5555echo " processing $INFILE "
5656rsync -a $CAZY_FOLDER $SCRATCH
57- if [ ! -f ${OUT} .tsv ]; then
58- module load hmmer/3.3.2-mpi
57+ if [ ! -s ${OUT} .tsv ]; then
58+ module load hmmer/3.3.2
5959 # hmmscan --cpu $CPUS --domtbl ${OUT}.domtbl -o ${OUT}.hmmscan $CAZY_DB $INFILE
6060 # srun hmmscan --mpi --domtbl ${OUT}.domtbl -o ${OUT}.hmmscan $SCRATCH/$(basename $CAZY_FOLDER)/$(basename $CAZY_DB) $INFILE
61- hmmscan --cpus $CPUS --domtbl ${OUT} .domtbl -o ${OUT} .hmmscan $SCRATCH /$( basename $CAZY_FOLDER ) /$( basename $CAZY_DB ) $INFILE
61+ hmmscan --cpu $CPUS --domtbl ${OUT} .domtbl -o ${OUT} .hmmscan $SCRATCH /$( basename $CAZY_FOLDER ) /$( basename $CAZY_DB ) $INFILE
6262 bash $CAZY_FOLDER /hmmscan-parser.sh ${OUT} .domtbl | sort > ${OUT} .tsv
6363 module unload hmmer
6464fi
6565
6666if [[ ! -d $OUT .run_dbcan || ! -f $OUT .run_dbcan/overview.txt ]]; then
6767 module load run_dbcan
68- module load hmmer/3
69- # rsync -a /srv/projects/db/CAZY/CAZyDB/v11.0/dbCAN_sub.hmm
68+ module load hmmer/3.3.2
7069 export CAZY_FOLDER=$SCRATCH /$( basename $CAZY_FOLDER )
71- run_dbcan --db_dir $CAZY_FOLDER --out_dir $OUT .run_dbcan --tools all \
70+ if [ ! -s $OUT .run_dbcan/overview.txt ]; then
71+ run_dbcan --db_dir $CAZY_FOLDER --out_dir $OUT .run_dbcan --tools all \
7272 --dbcan_thread $CPUS --hmm_cpu $CPUS --dia_cpu $CPUS \
7373 --use_signalP=TRUE --signalP_path $( which signalp) $INFILE protein
74+ fi
7475fi
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