foldseek multimer tmalign update re

steineggerlab · Apr 2, 2024 · 54865b5 · 54865b5
1 parent c49c0df
commit 54865b5
Showing 1 changed file with 10 additions and 11 deletions.
diff --git a/data/complexsearch.sh b/data/complexsearch.sh
@@ -22,18 +22,17 @@ if [ "$PREFMODE" != "EXHAUSTIVE" ]; then
             || fail "Expandcomplex died"
     fi
     if notExists "${TMP_PATH}/result_expand_aligned.dbtype"; then
-
-        if [ "$COMPLEX_ALIGNMENT_ALGO" == "tmalign" ]; then
-                 # shellcheck disable=SC2086
-                 "$MMSEQS" structurealign "${QUERYDB}" "${TARGETDB}" "${TMP_PATH}/result_expand_pref" "${TMP_PATH}/result_expand_aligned_tmp" -e 100 \
-                     || fail $COMPLEX_ALIGNMENT_ALGO "died"
-                 # shellcheck disable=SC2086
-                 "$MMSEQS" tmalign "${QUERYDB}" "${TARGETDB}" "${TMP_PATH}/result_expand_aligned_tmp" "${TMP_PATH}/result_expand_aligned" ${COMPLEX_ALIGN_PAR} \
-                     || fail $COMPLEX_ALIGNMENT_ALGO "died"
+        if [ "$COMPLEX_ALIGNMENT_ALGO" = "tmalign" ]; then
+            # shellcheck disable=SC2086
+            "$MMSEQS" structurealign "${QUERYDB}" "${TARGETDB}" "${TMP_PATH}/result_expand_pref" "${TMP_PATH}/result_expand_aligned_tmp" -e 100 \
+                || fail $COMPLEX_ALIGNMENT_ALGO "died"
+            # shellcheck disable=SC2086
+            "$MMSEQS" tmalign "${QUERYDB}" "${TARGETDB}" "${TMP_PATH}/result_expand_aligned_tmp" "${TMP_PATH}/result_expand_aligned" ${COMPLEX_ALIGN_PAR} \
+                || fail $COMPLEX_ALIGNMENT_ALGO "died"
         else
-        # shellcheck disable=SC2086
-        "$MMSEQS" $COMPLEX_ALIGNMENT_ALGO "${QUERYDB}" "${TARGETDB}" "${TMP_PATH}/result_expand_pref" "${TMP_PATH}/result_expand_aligned" ${COMPLEX_ALIGN_PAR} \
-            || fail $COMPLEX_ALIGNMENT_ALGO "died"
+            # shellcheck disable=SC2086
+            "$MMSEQS" $COMPLEX_ALIGNMENT_ALGO "${QUERYDB}" "${TARGETDB}" "${TMP_PATH}/result_expand_pref" "${TMP_PATH}/result_expand_aligned" ${COMPLEX_ALIGN_PAR} \
+                || fail $COMPLEX_ALIGNMENT_ALGO "died"
         fi
     fi
     RESULT="${TMP_PATH}/result_expand_aligned"