tutorial update, d-amino correction

[django_unres.git] / django_simple / todo / views.py

diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index 33276ac..45741f2 100644 (file)
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -314,6 +314,10 @@ def add_md(request,task_id):
              if task.md_start != "pdbstart":
                 task.ssbond=''
 
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+              task.damino=True
+
              task.ready=True
              
              task.save()
@@ -382,6 +386,9 @@ def add_md_a(request,task_id):
              task.md_mdpdb=form.cleaned_data["md_mdpdb"]
              task.unres_ff=form.cleaned_data["unres_ff"]
              task.md_respa=form.cleaned_data["md_respa"]             
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+              task.damino=True
              task.boxx=form.cleaned_data["boxx"]
              task.boxy=form.cleaned_data["boxy"]             
              task.boxz=form.cleaned_data["boxz"]             
@@ -443,6 +450,10 @@ def add_remd(request,task_id):
 
              task.md_nstep=form.cleaned_data["md_nstep"]
 
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+              task.damino=True
+
 
              task.ready=True
              
@@ -665,6 +676,10 @@ def add_remd_a(request,task_id):
              task.md_ntwx=form.cleaned_data["md_ntwx"]             
              task.md_ntwe=form.cleaned_data["md_ntwe"]
              task.md_respa=form.cleaned_data["md_respa"]
+             if any(c.islower() for c in seq):
+              task.md_respa=False
+              task.damino=True
+             
 #             task.remd_traj1file=form.cleaned_data["remd_traj1file"]
 #             task.remd_rest1file=form.cleaned_data["remd_rest1file"]