task.md_respa=False
task.damino=True
-
- task.ready=True
-
-
task.save()
return redirect('addmlist',task_id=task.id)
task.remd_model4=task.remd_model4+text
elif i==5:
task.remd_model5=task.remd_model5+text
+
+ if task.type=='dock':
+ for i in range(1,6):
+ with open(task.jobdirname+'/dockq_'+str(i)+'.out', 'r') as f:
+ text=''
+ for line in f:
+ if 'Fnat' in line:
+ text=' Fnat='+line.split()[1]
+ if 'iRMS' in line:
+ text=text+' iRMS='+line.split()[1]
+ if 'LRMS=' in line:
+ text=text+' LRMS='+line.split()[1]
+ if 'CAPRI' in line:
+ text=text+' CAPRI='+line.split()[1]
+ if 'DockQ_CAPRI' in line:
+ text=text+' DockQ_CAPRI='+line.split()[1]
+ if 'DockQ ' in line:
+ text=text+' DockQ='+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' or task.type=='dock':