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processing of wham pdb only for task.type=='remd'
author
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Tue, 22 Aug 2017 07:55:07 +0000
(09:55 +0200)
committer
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Tue, 22 Aug 2017 07:55:07 +0000
(09:55 +0200)
django_simple/todo/views.py
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diff --git
a/django_simple/todo/views.py
b/django_simple/todo/views.py
index
899f08b
..
62a5034
100644
(file)
--- a/
django_simple/todo/views.py
+++ b/
django_simple/todo/views.py
@@
-402,7
+402,7
@@
def refresh_done(request):
task.results_text=text
- if task.md_pdbref:
+ if task.md_pdbref and task.type=='remd':
for i in range(1,6):
with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f: