Merge pull request #15 from skelm/patch-1

restrain_ligand.py handling 2-letter residue names
haddocking · Jul 11, 2018 · 89cdab7 · 89cdab7
2 parents 3b3c22d + 44f534d
commit 89cdab7
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/restrain_ligand.py b/restrain_ligand.py
@@ -49,7 +49,7 @@
 
 ligand = None
 for residue in structure.get_residues():
-    if residue.resname == args.ligand:
+    if residue.resname.strip() == args.ligand.strip():
         ligand = residue
         break