From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Mon, 20 Nov 2017 23:07:37 +0000 (+0100)
Subject: examples correction
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=2c4b03af8bd8f39f4a501fb0beeecf80d1946f63;hp=0e76b9e206d73ead2b1dfe7b894e580225f210b3;p=django_unres.git

examples correction
---

diff --git a/TODO b/TODO
index 98c2883..657c019 100644
--- a/TODO
+++ b/TODO
@@ -4,7 +4,8 @@ make easy install on any system with pbs
 
 add javascript instead of separate forms
 
-option of automatic download file from PDB using id
+# option of automatic download file from PDB using id
+# done
 
 check input pdb for: 
 	unknown residues, 
@@ -31,7 +32,10 @@ automatic secondary structure restrains (psipred)
 MREMD - add cluster parameters, change after run and rerun only cluster analysis
       - button to make movie from selected trajectory after run
 
-examples+gallery
+# examples
+# done
+
+gallery
 
 documentation
 
@@ -42,7 +46,7 @@ automatic rm of old jobs ?
 include a simple mechanism to try out sample data provided by the authors,
 for example, a button for automatic loading of the data. Sample data must be
 accessible to users so that they can confirm data formatting requirements
-# ?
+# OK
 
 contain help pages or a tutorial with links to sample output that performs
 interactively in the same way as real output. The help pages must include
diff --git a/django_simple/todo/templates/base.html b/django_simple/todo/templates/base.html
index 92f50c6..310cfef 100644
--- a/django_simple/todo/templates/base.html
+++ b/django_simple/todo/templates/base.html
@@ -26,7 +26,7 @@
          {% endif %}
               Lab. of Simul. of Polym. & Lab. of Mol. Model, Faculty of Chemistry, University of Gdansk
               <br>
-              Ver.18.11.2017 <span class="fa fa-envelope-o"></span> 
+              Ver.20.11.2017 <span class="fa fa-envelope-o"></span> 
               cezary.czaplewski<span class="fa fa-at"></span>ug.edu.pl
 
 		<div class="user-name">
diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index d02f588..28a0603 100644
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -170,7 +170,7 @@ def add_min_a(request,task_id):
     task = get_object_or_404(Task, id=task_id)
     if request.method == 'POST':
      if '_example' in request.POST:
-        data= {'name':task.name,'pdbid':'1EI0'}
+        data= {'name':task.name,'pdbid':'1EI0','unres_ff':'opt-wtfsa-2'}
         form = TaskForm_min_a(initial=data)     
      else:
         form = TaskForm_min_a(request.POST,request.FILES)
@@ -228,7 +228,7 @@ def add_md(request,task_id):
     if request.method == 'POST':
      if '_example' in request.POST:
         data= {'name':task.name,'pdbid':'1IGD','md_start':'pdbstart',
-        'md_pdbref':True,'md_temp':250}
+        'md_pdbref':True,'md_temp':200}
         form = TaskForm_md(initial=data)     
      else:
         form = TaskForm_md(request.POST,request.FILES)
@@ -285,8 +285,8 @@ def add_md_a(request,task_id):
     task = get_object_or_404(Task, id=task_id)
     if request.method == 'POST':
      if '_example' in request.POST:
-        data= {'name':task.name,'pdbid':'1FSD','md_start':'extconf',
-         'md_pdbref':True,'md_lang':'berendsen'}
+        data= {'name':task.name,'pdbid':'1L2Y','md_start':'extconf',
+         'md_pdbref':True,'md_mdpdb':True}
         form = TaskForm_md_a(initial=data)     
      else:
         form = TaskForm_md_a(request.POST,request.FILES)
@@ -417,7 +417,8 @@ def add_remd_a(request,task_id):
     if request.method == 'POST':
      if '_example' in request.POST:
         data= {'name':task.name,'pdbid':'1E0G','md_pdbref':True,
-         'md_nstep':500000,'md_lang':'berendsen','unres_ff':'opt-wtfsa-2'}
+         'md_nstep':1000000,'md_lang':'berendsen','unres_ff':'opt-wtfsa-2',
+         'remd_cluter_temp':270}
         form = TaskForm_remd_a(initial=data)     
      else:
         form = TaskForm_remd_a(request.POST,request.FILES)