Merge pull request #2 from Zsailer/sq_cutoff

square cutoff distance to match units
harmslab · Mar 10, 2015 · 038d7d2 · 038d7d2
2 parents dcfb00d + 25f5e0b
commit 038d7d2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/pdb_contact.py b/pdb_contact.py
@@ -34,7 +34,7 @@ def pdbContacting(pdb,target,cutoff,target_type="resname"):
     for t in target_list:
         contacts = []
         for a in all_coord:
-            if sum([(a[1][i]-t[1][i])**2 for i in range(3)]) < cutoff:
+            if sum([(a[1][i]-t[1][i])**2 for i in range(3)]) < cutoff_sq:
 
                 # ignore self
                 if t[0] == a[0]: