Merge pull request #411 from rachelse/PR_master

clean up easy-multimercluster.sh
steineggerlab · Jan 18, 2025 · 4a1a289 · 4a1a289
2 parents 4aba8c3 + 758d3e3
commit 4a1a289
Showing 1 changed file with 8 additions and 12 deletions.
diff --git a/data/easymultimercluster.sh b/data/easymultimercluster.sh
@@ -80,12 +80,6 @@ postprocessFasta() {
     ' "${1}" > "${1}.tmp" && mv -f -- "${1}.tmp" "${1}"
 }
 
-if notExists "${TMP_PATH}/query.dbtype"; then
-    # shellcheck disable=SC2086
-    "$MMSEQS" createdb "${INPUT}" "${TMP_PATH}/query" ${CREATEDB_PAR} \
-        || fail "query createdb died"
-fi
-
 QUERY="${INPUT}"
 if notExists "${INPUT}.dbtype"; then
     if notExists "${TMP_PATH}/query"; then
@@ -98,7 +92,7 @@ if notExists "${INPUT}.dbtype"; then
     if [ -n "${GPU}" ]; then
         if notExists "${TMP_PATH}/query_pad"; then
             # shellcheck disable=SC2086
-            "$MMSEQS" makepaddedseqdb "${TMP_PATH}/query" "${TMP_PATH}/query_pad" ${MAKEPADDEDSEQDB_PAR} \
+            "$MMSEQS" makepaddedseqdb "${QUERY}" "${TMP_PATH}/query_pad" ${MAKEPADDEDSEQDB_PAR} \
                 || fail "makepaddedseqdb died"
         fi
         QUERY="${TMP_PATH}/query_pad"
@@ -107,12 +101,12 @@ fi
 
 if notExists "${TMP_PATH}/multimer_clu.dbtype"; then
     # shellcheck disable=SC2086
-    "$MMSEQS" multimercluster "${QUERY}" "${TMP_PATH}/multimer_clu" "${TMP_PATH}" ${MULTIMERCLUSTER_PAR} \
+    "$MMSEQS" multimercluster "${QUERY}" "${TMP_PATH}/multimer_clu" "${TMP_PATH}/multimercluster_tmp" ${MULTIMERCLUSTER_PAR} \
         || fail "Multimercluster died"
 fi
 
 SOURCE="${QUERY}"
-INPUT="${TMP_PATH}/latest/multimer_db"
+INPUT="${TMP_PATH}/multimercluster_tmp/latest/multimer_db"
 if notExists "${TMP_PATH}/cluster.tsv"; then
     # shellcheck disable=SC2086
     "$MMSEQS" createtsv "${INPUT}" "${INPUT}" "${TMP_PATH}/multimer_clu" "${TMP_PATH}/cluster.tsv" ${THREADS_PAR} \
@@ -155,7 +149,9 @@ mv -f -- "${TMP_PATH}/cluster_report" "${RESULT}_cluster_report"
 if [ -n "${REMOVE_TMP}" ]; then
     rm "${INPUT}.0"
     # shellcheck disable=SC2086
-    "$MMSEQS" rmdb "${TMP_PATH}/multimer_db" ${VERBOSITY_PAR}
+    "$MMSEQS" rmdb "${TMP_PATH}/multimercluster_tmp/latest/multimer_db" ${VERBOSITY_PAR}
+    # shellcheck disable=SC2086
+    "$MMSEQS" rmdb "${TMP_PATH}/multimercluster_tmp/latest/multimer_db_h" ${VERBOSITY_PAR}
     # shellcheck disable=SC2086
     # "$MMSEQS" rmdb "${TMP_PATH}/multimer_clu_seqs" ${VERBOSITY_PAR}
     # shellcheck disable=SC2086
@@ -178,7 +174,7 @@ if [ -n "${REMOVE_TMP}" ]; then
     fi
     # shellcheck disable=SC2086
     "$MMSEQS" rmdb "${TMP_PATH}/query_ss" ${VERBOSITY_PAR}
-    rm -rf -- "${TMP_PATH}/latest"
+    rm -rf -- "${TMP_PATH}/multimercluster_tmp"
     rm -f -- "${TMP_PATH}/rep_seqs.list"
-    rm -f --"${TMP_PATH}/easymultimercluster.sh"
+    rm -f -- "${TMP_PATH}/easymultimercluster.sh"
 fi