Commit d56145c8 by Riccardo Vicedomini

added (hidden) parameters to change hhblits arguments

parent fe4b2667
...@@ -25,6 +25,12 @@ trap ctrl_c INT; function ctrl_c() { exit 5; } ...@@ -25,6 +25,12 @@ trap ctrl_c INT; function ctrl_c() { exit 5; }
# Definition of functions and global variables specific to this script # Definition of functions and global variables specific to this script
HHBLITS_ARG_COV=70
HHBLITS_ARG_QID=60
HHBLITS_ARG_MAXID=98
HHBLITS_ARG_ITER=3
HHBLITS_ARG_EVALUE=1e-10
PVLIB_FORCE=false PVLIB_FORCE=false
PVLIB_PATH="" PVLIB_PATH=""
PVLIB_DOMID="" PVLIB_DOMID=""
...@@ -60,7 +66,7 @@ function print_usage() { ...@@ -60,7 +66,7 @@ function print_usage() {
# retrieve provided arguments # retrieve provided arguments
opts="i:D:d:n:t:j:hV" opts="i:D:d:n:t:j:hV"
longopts="input:,domain-id:,db:,lib-name:,force,threads:,max-jobs:,help,version" longopts="input:,domain-id:,db:,lib-name:,force,threads:,max-jobs:,help,version,cov:,qid:,max-id:,evalue:,iter:"
ARGS=$(getopt -o "${opts}" -l "${longopts}" -n "${CMD_NAME}" -- "${@}") ARGS=$(getopt -o "${opts}" -l "${longopts}" -n "${CMD_NAME}" -- "${@}")
if [ $? -ne 0 ] || [ $# -eq 0 ]; then # do not change the order of this test! if [ $? -ne 0 ] || [ $# -eq 0 ]; then # do not change the order of this test!
print_usage print_usage
...@@ -106,6 +112,26 @@ while [ -n "${1}" ]; do ...@@ -106,6 +112,26 @@ while [ -n "${1}" ]; do
print_version print_version
exit 0 exit 0
;; ;;
--cov)
shift
HHBLITS_ARG_COV=${1}
;;
--qid)
shift
HHBLITS_ARG_QID=${1}
;;
--max-id)
shift
HHBLITS_ARG_MAXID=${1}
;;
--evalue)
shift
HHBLITS_ARG_EVALUE=${1}
;;
--iter)
shift
HHBLITS_ARG_ITER=${1}
;;
--) --)
shift shift
break break
...@@ -193,7 +219,7 @@ for query in "${PVLIB_QUERY}"/*.fa; do ...@@ -193,7 +219,7 @@ for query in "${PVLIB_QUERY}"/*.fa; do
[ -e "${query}" ] || continue [ -e "${query}" ] || continue
queryBase=${query##*/} queryBase=${query##*/}
queryName=${queryBase%.fa} queryName=${queryBase%.fa}
echo "hhblits ${HHBLITS_DBS} -i ${query} -o stdout -oa3m ${PVLIB_PREFIX}/a3m/${queryName}.a3m -ohhm ${PVLIB_PREFIX}/hhm/${queryName}.hhm -M first -qid 60 -cov 70 -id 98 -e 1e-10 -n 2 -cpu ${NTHREADS} -v 0 >/dev/null 2>&1" echo "hhblits ${HHBLITS_DBS} -i ${query} -o stdout -oa3m ${PVLIB_PREFIX}/a3m/${queryName}.a3m -ohhm ${PVLIB_PREFIX}/hhm/${queryName}.hhm -M first -cov ${HHBLITS_ARG_COV} -qid ${HHBLITS_ARG_QID} -id ${HHBLITS_ARG_MAXID} -e ${HHBLITS_ARG_EVALUE} -n ${HHBLITS_ARG_ITER} -cpu ${NTHREADS} -v 0 >/dev/null 2>&1"
done | ${PEXEC_CMD} # left it unquoted! done | ${PEXEC_CMD} # left it unquoted!
print_status "formatting a3m files" print_status "formatting a3m files"
...@@ -220,7 +246,7 @@ print_status "generating ProfileView library data" ...@@ -220,7 +246,7 @@ print_status "generating ProfileView library data"
for hmm in "${PVLIB_DIR}"/hmm/*.hmm; do for hmm in "${PVLIB_DIR}"/hmm/*.hmm; do
[ -e "${hmm}" ] || continue [ -e "${hmm}" ] || continue
awk -v domId="${PVLIB_DOMID}" '$1~/^NAME$/{hmm_name=$2;next} $1~/^LENG$/{hmm_len=$2;next} $1~/^NSEQ$/{hmm_nseq=$2;next} $1~/^HMM$/{ OFS=","; print hmm_name,domId,hmm_nseq,hmm_len }' ${hmm} awk -v domId="${PVLIB_DOMID}" '$1~/^NAME$/{hmm_name=$2;next} $1~/^LENG$/{hmm_len=$2;next} $1~/^NSEQ$/{hmm_nseq=$2;next} $1~/^HMM$/{ OFS=","; print hmm_name,domId,hmm_nseq,hmm_len }' ${hmm}
done > "${PVLIB_PREFIX}"/"${PVLIB_NAME}".models.list done > "${PVLIB_PREFIX}/${PVLIB_NAME}.models.list"
python3 "${SCRIPTS_DIR}"/createHHdict.py --hhm-dir "${PVLIB_DIR}/hhm" --prefix "${PVLIB_DIR}"/${PVLIB_NAME}.hhdict >/dev/null 2>&1 python3 "${SCRIPTS_DIR}"/createHHdict.py --hhm-dir "${PVLIB_DIR}/hhm" --prefix "${PVLIB_DIR}"/${PVLIB_NAME}.hhdict >/dev/null 2>&1
python3 "${SCRIPTS_DIR}"/createHmmerDict.py --hmm-dir "${PVLIB_DIR}/hmm" --prefix "${PVLIB_DIR}"/${PVLIB_NAME}.hmmdict >/dev/null 2>&1 python3 "${SCRIPTS_DIR}"/createHmmerDict.py --hmm-dir "${PVLIB_DIR}/hmm" --prefix "${PVLIB_DIR}"/${PVLIB_NAME}.hmmdict >/dev/null 2>&1
......
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