Fix arguments and paths for make_msa.sh, make make_ss.sh executable

baker-laboratory · Oct 22, 2024 · 0b87de0 · 0b87de0
1 parent 6c85140
commit 0b87de0
Show file tree

Hide file tree

Showing 3 changed files with 12 additions and 5 deletions.
diff --git a/input_prep/make_ss.sh b/input_prep/make_ss.sh
diff --git a/make_msa.sh b/make_msa.sh
@@ -8,16 +8,23 @@ out_dir="$2"
 CPU="$3"
 MEM="$4"
 
+# directory with the databases
+SEARCH_BASE="$5"
+
 # template database
-DB_TEMPL="$5"
+DB_TEMPL="$6"
 
 # current script directory (i.e., pipe directory)
 SCRIPT=`realpath -s $0`
 export PIPE_DIR=`dirname $SCRIPT`
 
+if [ -z "$SEARCH_BASE" ]; then
+    SEARCH_BASE=$PIPE_DIR
+fi
+
 # sequence databases
-DB_UR30="$PIPE_DIR/UniRef30_2020_06/UniRef30_2020_06"
-DB_BFD="$PIPE_DIR/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt"
+DB_UR30="$SEARCH_BASE/UniRef30_2020_06/UniRef30_2020_06"
+DB_BFD="$SEARCH_BASE/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt"
 
 # Running signalP 6.0
 mkdir -p $out_dir/signalp

diff --git a/rf2aa/data/preprocessing.py b/rf2aa/data/preprocessing.py
@@ -28,8 +28,8 @@ def make_msa(
     if out_a3m.exists() and out_atab.exists() and out_hhr.exists():
         return out_a3m, out_hhr, out_atab
 
-    search_command = f"./{command} {fasta_file} {out_dir} {num_cpus} {ram_gb} {search_base} {template_database}"
+    search_command = list(map(str, [ command, fasta_file, out_dir, num_cpus, ram_gb, search_base, template_database ]))
     print(search_command)
-    _ = subprocess.run(search_command, shell=True)
+    _ = subprocess.run(search_command)
     return out_a3m, out_hhr, out_atab