X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Fviews.py;h=338abc4209b8bd79198225166d0ceba9a101668d;hb=5c40625537192e815e74b6140cccd9344673a5f9;hp=87327033ed68aef84751a212e73415e8efa0995f;hpb=40a0294067658c1cd37eaa2684ab98ed10cdb025;p=django_unres.git

diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index 8732703..338abc4 100644
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -423,8 +423,32 @@ def refresh_done(request):
                  elif i==5:
                      task.remd_model5=' '.join(line.split()[-6:])
 
+          for i in range(1,6):
+            with open(task.jobdirname+'/tmscore'+str(i)+'.out', 'r') as f:
+               text=''
+               for line in f:
+                 if 'RMSD of  the common residues=' in line:
+                   text=' RMSD='+line.split()[5]
+                 if 'TMscore    =' in line:
+                   text=text+' TM-score='+line.split()[2]
+                 if 'GDT-TS-score=' in line:
+                   text=text+' GDT_TS='+line.split()[1]
+                    
+               if i==1:
+                     task.remd_model1=task.remd_model1+text
+               elif i==2:
+                     task.remd_model2=task.remd_model2+text
+               elif i==3:
+                     task.remd_model3=task.remd_model3+text
+               elif i==4:
+                     task.remd_model4=task.remd_model4+text
+               elif i==5:
+                     task.remd_model5=task.remd_model5+text
+
+
+
          if task.type=='remd':  
-          with open('file_cluster_clust.out_000', 'r') as f:
+          with open(task.jobdirname+'/file_cluster_clust.out_000', 'r') as f:
 
            for line in f:
              if 'sumprob' in line:
@@ -434,15 +458,15 @@ def refresh_done(request):
                   if i>6:
                        break
                   if i==1:
-                     task.remd_model1=task.remd_model1+'Cluster1 probability= '+line1.split()[2]
+                     task.remd_model1=task.remd_model1+' Cluster1 probability= '+line1.split()[2]
                   elif i==2:
-                     task.remd_model2=task.remd_model2+'Cluster2 probability= '+line1.split()[2]
+                     task.remd_model2=task.remd_model2+' Cluster2 probability= '+line1.split()[2]
                   elif i==3:
-                     task.remd_model3=task.remd_model3+'Cluster3 probability= '+line1.split()[2]
+                     task.remd_model3=task.remd_model3+' Cluster3 probability= '+line1.split()[2]
                   elif i==4:
-                     task.remd_model4=task.remd_model4+'Cluster4 probability= '+line1.split()[2]
+                     task.remd_model4=task.remd_model4+' Cluster4 probability= '+line1.split()[2]
                   elif i==5:
-                     task.remd_model5=task.remd_model5+'Cluster5 probability= '+line1.split()[2]
+                     task.remd_model5=task.remd_model5+' Cluster5 probability= '+line1.split()[2]