Fixed the SITE parser

protocaller · Dec 25, 2020 · ca16647 · ca16647
1 parent 1496455
commit ca16647
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/ProtoCaller/IO/PDB/__init__.py b/ProtoCaller/IO/PDB/__init__.py
@@ -166,7 +166,7 @@ def writePDB(self, filename=None):
 
             # write site residues
             for i in range(0, len(self.site_residues), 4):
-                str_list = ["SITE              "]
+                str_list = ["SITE   {:>3d} DUM{:>3d} ".format(i // 4 + 1, len(self.site_residues))]
                 for residue in self.site_residues[i:min(i + 4, len(self.site_residues))]:
                     str_list += "{:>3.3} {:1.1}{:>4d}{:1.1} ".format(residue.resName, residue.chainID, residue.resSeq,
                                                                      residue.iCode)