details input show/hide correction

[django_unres.git] / files / fluct_plot.py

diff --git a/files/fluct_plot.py b/files/fluct_plot.py
index 8d6e214..7719b2f 100755 (executable)
--- a/files/fluct_plot.py
+++ b/files/fluct_plot.py
@@ -49,13 +49,21 @@ for i in range(1,natom+1):
    y.append(fluct)
 
 b=[]
+newchain=True
 if os.path.exists('plik.pdb'):
  with open('plik.pdb') as f:
    for line in f:
       if line[0:4]=='ATOM' and line[13:15]=='CA':
 #         print line
+        if newchain or int(line[22:26])>ires:
          b.append(math.sqrt(float(line[60:66])*3/8/math.pi/math.pi))
-                  
+         ires=int(line[22:26])         
+         newchain=False
+      if line[0:3]=='TER':
+        newchain=True
+      if line[0:3]=='END':
+        break
+                        
 
 
 plt.xlabel('residue')