Format code with Blackdeepsource-transform-b65b5545

1 files changed, 13 insertions, 7 deletions

diff --git a/scripts/get_dock_score.py b/scripts/get_dock_score.py
index c8b87d5..1cc0412 100644
--- a/scripts/get_dock_score.py
+++ b/scripts/get_dock_score.py
@@ -3,8 +3,8 @@
 import argparse
 
 parser = argparse.ArgumentParser(description="Get Docking Score")
-parser.add_argument("-p","--protein",help="Path to protein file")
-parser.add_argument("-l","--ligand",help="Path to ligand_out file")
+parser.add_argument("-p", "--protein", help="Path to protein file")
+parser.add_argument("-l", "--ligand", help="Path to ligand_out file")
 
 args = parser.parse_args()
 
@@ -21,7 +21,13 @@ ligand = args.ligand
 
 from os.path import basename
 
-print("# " + str(basename(protein)).replace(".pdbqt","") + "-" + str(basename(ligand)).replace("_out.pdbqt",""), end="\n\n")
+print(
+    "# "
+    + str(basename(protein)).replace(".pdbqt", "")
+    + "-"
+    + str(basename(ligand)).replace("_out.pdbqt", ""),
+    end="\n\n",
+)
 
 from tabulate import tabulate
 
@@ -31,7 +37,7 @@ results = []
 i = 1
 for line in lines:
     ta = []
-    if line.find('REMARK VINA') == 0 and line.split()[3] != "":
+    if line.find("REMARK VINA") == 0 and line.split()[3] != "":
         l = line.split()
         ta.append(i)
         ta.append(l[3])
@@ -41,6 +47,6 @@ for line in lines:
     if ta != []:
         results.append(ta)
 
-print("## Docking Scores",end="\n\n")
-print(tabulate(results,headers=["No.","Affinity","rmsd l.b","rmsd u.b"]))
-print("",end="\n\n")
+print("## Docking Scores", end="\n\n")
+print(tabulate(results, headers=["No.", "Affinity", "rmsd l.b", "rmsd u.b"]))
+print("", end="\n\n")