sequence.append(aa)
ires.append(i)
if newchain:
- chain_start[chain[ichain]]=i
+ if len(chain)>0:
+ chain_start[chain[ichain]]=i
newchain = False
if line[0:3] == 'TER':
sequence.append('XX')
- chain_end[chain[ichain]]=i
+ if len(chain)>0:
+ chain_end[chain[ichain]]=i
ichain=ichain+1
newchain = True
if line[0:6] == 'SSBOND':
@login_required
def index(request):
user = request.user
- tasks = Task.objects.filter(owner=user)
+ tasks = Task.objects.filter(owner=user).order_by('-created_date')
variable = ''
return render(request, "index.html", {
'tasks': tasks
@login_required
def refresh_done(request):
user = request.user
- tasks = Task.objects.filter(owner=user)
+ tasks = Task.objects.filter(owner=user).order_by('-created_date')
for task in tasks:
if os.path.isfile(task.jobdirname+'/finished') and not task.done:
task.done=True
if task.md_pdbref and task.type=='remd':
for i in range(1,6):
+ try:
with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f:
line=f.readline()
if i==1:
task.remd_model4=' '.join(line.split()[-6:])
elif i==5:
task.remd_model5=' '.join(line.split()[-6:])
-
+ except EnvironmentError:
+ print 'file_wham_T*pdb open error'
for i in range(1,6):
with open(task.jobdirname+'/tmscore'+str(i)+'.out', 'r') as f:
text=''