replace empty chains with "_" instead "A"

2012-12-11 16:20:35 -08:00
parent 4566cd67f9
commit ae462842c1
1 changed files with 4 additions and 1 deletions
--- a/propka/atom.py
+++ b/propka/atom.py
@@ -75,7 +75,10 @@ class Atom:
            self.z = float( line[46:54].strip() )
            self.resNumb = int( line[22:26].strip() )
            self.resName = "%-3s" % (line[17:20].strip())
-            self.chainID = max(line[21], 'A') # set chain id to A in case of white space
+            self.chainID = line[21]
+            # Set chain id to "_" if it is just white space.
+            if not self.chainID.strip():
+                self.chainID = '_'
            self.type = line[:6].strip().lower()

            if self.resName in ['DA ','DC ','DG ','DT ']: