X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=files%2Ffluct_plot.py;h=7719b2f3dc4b3b2438377a475a0a491efa583dc2;hb=a3b7f27a81cf442cdeeaff5b9c9b52298c282f5a;hp=8d6e214b0b8882520d36acb92128eb5da4ed4876;hpb=2bf36f0ee6cb5e4e8e3267faa27fc84ef9f1ab38;p=django_unres.git

diff --git a/files/fluct_plot.py b/files/fluct_plot.py
index 8d6e214..7719b2f 100755
--- 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')