X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=django_simple%2Ftodo%2Ftemplates%2Fdetails.html;h=36e8e632fba9f6f50d10798d6a8747f5a29c81ea;hb=574432c5c3b1611eaff016a81a4b6375be2578b8;hp=b69ff1b2a4ce9683fb5a2d4af09a0f991ce819d2;hpb=533934d3ce690cbee495617d193c7560960e55d5;p=django_unres.git

diff --git a/django_simple/todo/templates/details.html b/django_simple/todo/templates/details.html
index b69ff1b..36e8e63 100644
--- a/django_simple/todo/templates/details.html
+++ b/django_simple/todo/templates/details.html
@@ -1,39 +1,103 @@
 {% extends "base.html" %}
 
+{% load i18n lazysignup_tags %}
 {% block content %}
-<h3> All parameters for task <b>{{ task.name }}</b></h3>
+
+{% if user|is_lazy_user %}
+<ul class="list-group">
+
+<li class="list-group-item new-task-item task-item">
+
+<div class="col-md-2 form-group">
+<form action="/refresh_done/" method="post">
+{% csrf_token %}
+<input type="submit" class="btn" value="Refresh" name="refreshbtn">
+</form>
+</div>
+
+<div class="col-md-10 form-group">
+<h5 style="text-align:right;float:right;">
+{% if not task.done %}
+ {% if task.running > 0  %}
+  {% if task.running == 100  %}
+  postprocessing
+  {% else %}
+  running
+  {% endif %}
+ {% else %}
+  waiting in the queue to start
+ {% endif %}
+{% endif %}
+</h5>
+</div>
+</li>
+</ul>
+{% endif %}
+
+<h3> Task <b>{{ task.name }}</b></h3>
 Created {{ task.created_date  }}
 	<ul class="list-group">
 
 			<li class="list-group-item task-item">
-			        <div class="col-xs-10"> done ?</div>
-			  	<div class="col-xs-10">
+			        <div class="col-md-4"> done ?</div>
+			  	<div class="col-md-8">
 		  			{% if task.done %}
 			  			<span class="fa fa-check-square-o"></span>
+			  	            {% if task.type == "md" or task.type == "remd" %}
+			  	              <form action="restart/"
+			  			method="get"
+			  			style="text-align;float:right;">
+			  			{% csrf_token %}
+			  			 <input type="submit" 
+			  			 class="btn btn-default" 
+			  			 value="Restart"
+			  			 name="restartbtn">
+			  			 </button>
+                                              </form>
+                                            {% endif %}  
 					{% else %}
+					  {% if task.running > 0  %}
+			  			<span class="fa fa-spinner
+			  			fa-spin"></span>
+			  			{{ task.running }}%
+			                  {% else %}
 			  			<span class="fa fa-square-o"></span>
+			  		  {% endif %}
 					{% endif %}
 
 			  	</div>
 			</li>  	
+<div>
+    <fieldset class="majorpoints">
+    <legend class="majorpointslegend"
+    style="background-color:#d3d3d3;cursor: pointer;">Show input parameters</legend>
+    <div class="hiders" style="display:none" >
+
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> type </div>
-		 	    <div class="col-xs-10">{{ task.type }}</div>
+		            <div class="col-md-6"> type </div>
+		 	    <div class="col-md-6">{{ task.type }}</div>
 			</li>		
          
          	        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> force field </div>
-		 	    <div class="col-xs-10">{{ task.unres_ff }}</div>
+		            <div class="col-md-6"> force field </div>
+		 	    <div class="col-md-6">{{ task.unres_ff }}</div>
 			</li>		
 
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> sequence </div>
-		 	    <div class="col-xs-10">{{ task.md_seq}}</div>
+		            <div class="col-md-4"> sequence </div>
+		 	    <div class="col-md-8 monospace">{{ task.md_seq}}</div>
 			</li>		
 
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> SSBOND </div>
-		 	    <div class="col-xs-10">{{ task.ssbond}}</div>
+		            <div class="col-md-4"> secondary structure
+		            restraints </div>
+		 	    <div class="col-md-8 monospace">{{ task.md_2d}}</div>
+			</li>		
+
+
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> SSBOND </div>
+		 	    <div class="col-md-6">{{ task.ssbond}}</div>
 			</li>		
 
 			
@@ -41,192 +105,276 @@ Created {{ task.created_date  }}
 
 
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> algorithm</div>
-		 	    <div class="col-xs-10">{{ task.min_choice }}</div>
+		            <div class="col-md-6"> algorithm</div>
+		 	    <div class="col-md-6">{{ task.min_choice }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> overlap</div>
-		 	    <div class="col-xs-10">{{ task.min_overlap }}</div>
+		            <div class="col-md-6"> overlap</div>
+		 	    <div class="col-md-6">{{ task.min_overlap }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> searchsc</div>
-		 	    <div class="col-xs-10">{{ task.min_searchsc }}</div>
+		            <div class="col-md-6"> searchsc</div>
+		 	    <div class="col-md-6">{{ task.min_searchsc }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> maxmin</div>
-		 	    <div class="col-xs-10">{{ task.min_maxmin }}</div>
+		            <div class="col-md-6"> maxmin</div>
+		 	    <div class="col-md-6">{{ task.min_maxmin }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> maxfun</div>
-		 	    <div class="col-xs-10">{{ task.min_maxfun }}</div>
+		            <div class="col-md-6"> maxfun</div>
+		 	    <div class="col-md-6">{{ task.min_maxfun }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> pdbout</div>
-		 	    <div class="col-xs-10">{{ task.min_pdbout }}</div>
+		            <div class="col-md-6"> pdbout</div>
+		 	    <div class="col-md-6">{{ task.min_pdbout }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> input pdb </div>
-		 	    <div class="col-xs-10">{{ task.myfile1 }}</div>
+		            <div class="col-md-6"> input pdb </div>
+		 	    <div class="col-md-6">{{ task.myfile1 }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> unres_pdb</div>
-		 	    <div class="col-xs-10">{{ task.min_unres_pdb }}</div>
+		            <div class="col-md-6"> pdb code</div>
+		 	    <div class="col-md-6">{{ task.pdbcode }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> unres_pdb</div>
+		 	    <div class="col-md-6">{{ task.min_unres_pdb }}</div>
 			</li>		
 			
 	{% endif %}
         {% if task.type == "md" %}
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> starting </div>
-		 	    <div class="col-xs-10">{{ task.md_start}}</div>
+		            <div class="col-md-6"> starting </div>
+		 	    <div class="col-md-6">{{ task.md_start}}</div>
 			</li>		
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> input pdb </div>
-		 	    <div class="col-xs-10">{{ task.myfile1 }}</div>
+		            <div class="col-md-6"> input pdb </div>
+		 	    <div class="col-md-6">{{ task.myfile1 }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> pdb code</div>
+		 	    <div class="col-md-6">{{ task.pdbcode }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> seed </div>
+		 	    <div class="col-md-6">{{ task.md_seed}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> seed </div>
-		 	    <div class="col-xs-10">{{ task.md_seed}}</div>
+		            <div class="col-md-6"> pdbref </div>
+		 	    <div class="col-md-6">{{ task.md_pdbref}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> pdbref </div>
-		 	    <div class="col-xs-10">{{ task.md_pdbref}}</div>
+		            <div class="col-md-6"> respa </div>
+		 	    <div class="col-md-6">{{ task.md_respa}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> respa </div>
-		 	    <div class="col-xs-10">{{ task.md_respa}}</div>
+		            <div class="col-md-6"> temperature </div>
+		 	    <div class="col-md-6">{{ task.md_temp}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> temperature </div>
-		 	    <div class="col-xs-10">{{ task.md_temp}}</div>
+		            <div class="col-md-6"> nstep </div>
+		 	    <div class="col-md-6">{{ task.md_nstep}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> nstep </div>
-		 	    <div class="col-xs-10">{{ task.md_nstep}}</div>
+		            <div class="col-md-6"> total steps (with restarts) </div>
+		 	    <div class="col-md-6">{{ task.md_total_steps}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> ntwe </div>
-		 	    <div class="col-xs-10">{{ task.md_ntwe}}</div>
+		            <div class="col-md-6"> ntwe </div>
+		 	    <div class="col-md-6">{{ task.md_ntwe}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> ntwx </div>
-		 	    <div class="col-xs-10">{{ task.md_ntwx}}</div>
+		            <div class="col-md-6"> ntwx </div>
+		 	    <div class="col-md-6">{{ task.md_ntwx}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> dt </div>
-		 	    <div class="col-xs-10">{{ task.md_dt}}</div>
+		            <div class="col-md-6"> dt </div>
+		 	    <div class="col-md-6">{{ task.md_dt}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> thermostat </div>
-		 	    <div class="col-xs-10">{{ task.md_lang}}</div>
+		            <div class="col-md-6"> thermostat </div>
+		 	    <div class="col-md-6">{{ task.md_lang}}</div>
 			</li>		
 			
 			{% if task.md_lang == "berendsen" %}
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> tau </div>
-		 	    <div class="col-xs-10">{{ task.md_tau}}</div>
+		            <div class="col-md-6"> tau </div>
+		 	    <div class="col-md-6">{{ task.md_tau}}</div>
 			</li>		
 			
 			{% else %}
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> scal_fric </div>
-		 	    <div class="col-xs-10">{{ task.md_scal_fric}}</div>
+		            <div class="col-md-6"> scal_fric </div>
+		 	    <div class="col-md-6">{{ task.md_scal_fric}}</div>
 			</li>	
 			
 			{% endif %}
 				
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> mdpdb </div>
-		 	    <div class="col-xs-10">{{ task.md_mdpdb}}</div>
+		            <div class="col-md-6"> mdpdb </div>
+		 	    <div class="col-md-6">{{ task.md_mdpdb}}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> RESPA </div>
+		 	    <div class="col-md-6">{{ task.md_respa}}</div>
 			</li>		
+			
+			
         {% endif %}
 
-        {% if task.type == "remd" %}
+        {% if task.type == "remd" or task.type == "dock" %}
 
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> nrep </div>
-		 	    <div class="col-xs-10">{{ task.remd_nrep}}</div>
+		            <div class="col-md-6"> nrep </div>
+		 	    <div class="col-md-6">{{ task.remd_nrep}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> starting </div>
-		 	    <div class="col-xs-10">{{ task.md_start}}</div>
+		            <div class="col-md-6"> starting </div>
+		 	    <div class="col-md-6">{{ task.md_start}}</div>
 			</li>		
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> input pdb </div>
-		 	    <div class="col-xs-10">{{ task.myfile1 }}</div>
+		            <div class="col-md-6"> input pdb </div>
+		 	    <div class="col-md-6">{{ task.myfile1 }}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> seed </div>
-		 	    <div class="col-xs-10">{{ task.md_seed}}</div>
+		            <div class="col-md-6"> pdb code</div>
+		 	    <div class="col-md-6">{{ task.pdbcode }}</div>
 			</li>		
+			{% if task.type == "dock" %}
+			<li class="list-group-item task-item">
+		            <div class="col-md-6"> input pdb2 </div>
+		 	    <div class="col-md-6">{{ task.myfile2 }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> pdb code2</div>
+		 	    <div class="col-md-6">{{ task.pdbcode2 }}</div>
+			</li>		
+			
+			{% endif %}
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> seed </div>
+		 	    <div class="col-md-6">{{ task.md_seed}}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> pdbref </div>
+		 	    <div class="col-md-6">{{ task.md_pdbref}}</div>
+			</li>		
+			{% if task.md_start == "pdbstart" %}
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> pdbref </div>
-		 	    <div class="col-xs-10">{{ task.md_pdbref}}</div>
+		            <div class="col-md-6"> preminim maxfun </div>
+		 	    <div class="col-md-6">{{ task.min_maxfun }}</div>
+			</li>		
+			{% endif %}
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> respa </div>
+		 	    <div class="col-md-6">{{ task.md_respa}}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> nstep </div>
+		 	    <div class="col-md-6">{{ task.md_nstep}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> respa </div>
-		 	    <div class="col-xs-10">{{ task.md_respa}}</div>
+		            <div class="col-md-6"> total steps (with restarts) </div>
+		 	    <div class="col-md-6">{{ task.md_total_steps}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> nstep </div>
-		 	    <div class="col-xs-10">{{ task.md_nstep}}</div>
+		            <div class="col-md-6"> ntwe </div>
+		 	    <div class="col-md-6">{{ task.md_ntwe}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> nstex </div>
-		 	    <div class="col-xs-10">{{ task.remd_nstex}}</div>
+		            <div class="col-md-6"> nstex </div>
+		 	    <div class="col-md-6">{{ task.remd_nstex}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> dt </div>
-		 	    <div class="col-xs-10">{{ task.md_dt}}</div>
+		            <div class="col-md-6"> ntwx </div>
+		 	    <div class="col-md-6">{{ task.md_ntwx}}</div>
+			</li>					
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> dt </div>
+		 	    <div class="col-md-6">{{ task.md_dt}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> thermostat </div>
-		 	    <div class="col-xs-10">{{ task.md_lang}}</div>
+		            <div class="col-md-6"> thermostat </div>
+		 	    <div class="col-md-6">{{ task.md_lang}}</div>
 			</li>		
 			
 			{% if task.md_lang == "berendsen" %}
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> tau </div>
-		 	    <div class="col-xs-10">{{ task.md_tau}}</div>
+		            <div class="col-md-6"> tau </div>
+		 	    <div class="col-md-6">{{ task.md_tau}}</div>
 			</li>		
 			
 			{% else %}
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> scal_fric </div>
-		 	    <div class="col-xs-10">{{ task.md_scal_fric}}</div>
+		            <div class="col-md-6"> scal_fric </div>
+		 	    <div class="col-md-6">{{ task.md_scal_fric}}</div>
 			</li>	
 			
 			{% endif %}
+
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> RESPA </div>
+		 	    <div class="col-md-6">{{ task.md_respa}}</div>
+			</li>		
 				
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> temperatures </div>
-		 	    <div class="col-xs-10">{{ task.remd_multi_t}}</div>
+		            <div class="col-md-6"> temperatures </div>
+		 	    <div class="col-md-6">{{ task.remd_multi_t}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> multiplex </div>
-		 	    <div class="col-xs-10">{{ task.remd_multi_m}}</div>
+		            <div class="col-md-6"> multiplex </div>
+		 	    <div class="col-md-6">{{ task.remd_multi_m}}</div>
 			</li>		
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> temperature for clustering</div>
-		 	    <div class="col-xs-10">{{ task.remd_cluter_temp}}</div>
+		            <div class="col-md-6"> temperature for clustering</div>
+		 	    <div class="col-md-6">{{ task.remd_cluter_temp}}</div>
 			</li>		
-
+			{% if task.saxs_data != "" %}			
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> wsaxs </div>
+		 	    <div class="col-md-6">{{ task.wsaxs }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> scal_rad (saxs) </div>
+		 	    <div class="col-md-6">{{ task.scal_rad }}</div>
+			</li>		
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> saxs distribution </div>
+		 	    <div class="col-md-6"><pre> {{ task.saxs_data }}</pre></div>
+			</li>		
+                        {% endif %}
 
         {% endif %}
 
+		        <li class="list-group-item task-item">
+		            <div class="col-md-6"> Box X Y Z</div>
+		 	    <div class="col-md-2">{{ task.boxx}}</div>
+		 	    <div class="col-md-2">{{ task.boxy}}</div>		 	    
+		 	    <div class="col-md-2">{{ task.boxz}}</div>		 	    
+			</li>		
+
+</div>
+</div>
 	<p>
 	<h3> Results </h3>
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> Directory </div>
-		 	    <div class="col-xs-10">
+		            <div class="col-md-4"> Directory </div>
+		 	    <div class="col-md-8">
 		 	    <a href="/myfiles/list/{{task.jobdirname}}/">
 		 	    {{ task.jobdirname }}
 		 	    </a>
+		 	    {% if task.done %}
+		 	    &nbsp;
+		 	    <a class="btn btn-default"
+                            href="/{{task.id}}/all.zip">
+                            Download as zip</a>
+                            {% endif %}
 		 	    </div>
 			</li>		
 
@@ -236,57 +384,77 @@ Created {{ task.created_date  }}
 			{% if task.type == "min" %}
 			
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> Etot </div>
-		 	    <div class="col-xs-10">{{ task.etot }}</div>
+		            <div class="col-md-2"> Etot </div>
+		 	    <div class="col-md-10">{{ task.etot }}</div>
 			</li>		
-			
+<!--			
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> UNRES model </div>
-			  <div class="col-xs-10"> 
+			  <div class="col-md-2"> UNRES model </div>
+			  <div class="col-md-10"> 
 			  <a
 			   href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
 			  <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
 			  width="500"></a> </div>
 			</li>
+-->
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> UNRES model NGL viewer</div>
+			  <div class="col-md-10" id="viewport_unres"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
 
 
+<!--
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Structure overlap </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Structure overlap </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
 			  width="500"> </div>
 			</li>
-
-
+-->
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> Structure overlap NGL viewer</div>
+			  <div class="col-md-10" id="viewport_min"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+                        <li class="list-group-item task-item">
+               <div class="col-md-12">
+               <button id="toggleAllatom">Input structure on/off</button>
+               <button id="toggleSidechains2">Side-chains on/off</button>
+               </div>
+                        </li>
                         {% endif %}
 
 		        <li class="list-group-item task-item">
-		            <div class="col-xs-10"> Results </div>
-		 	    <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
+		            <div class="col-md-2"> Results </div>
+		 	    <div class="col-md-10">{{ task.results_text|linebreaks }}</div>
 			</li>		
 			
 			{% if task.type == "md" %}
 
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Temperature histogram </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Temperature histogram </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
 			  width="500"> </div>
 			</li>
 
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Potential energy </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Potential energy </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
 			  width="500"> </div>
 			</li>
 
 			    <li class="list-group-item task-item">
-			    <div class="col-xs-10"> Movie </div>
-			    <div class="col-xs-10"> 
+			    <div class="col-md-2"> Movie </div>
+			    <div class="col-md-10"> 
 
-                            <video width="500" height="400" preload controls>
+                            <video width="500" height="400"
+                            preload="auto" controls="controls">
                             <source
                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
                             type="video/ogg; codecs=theora"> </source>
@@ -294,11 +462,30 @@ Created {{ task.created_date  }}
 			  
 			    </div>
 			    </li>
+
+{% if task.md_mdpdb %}
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> Trajectory NGL viewer</div>
+			  <div class="col-md-10" id="viewport_traj"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+                        <li class="list-group-item task-item">
+               <div class="col-md-6">
+<input id="clipRange" type="range" value=1 min=1 max= {% widthratio task.md_total_steps task.md_ntwx 1 %} step=1 ></input><span id="clipRange_val">1</span> frame
+</div>
+<div class="col-md-6">
+<button id="toggleRunMDs">run/pause MD</button>  
+<button id="toggleSidechains1">side-chains on/off</button>			  
+</div>
+                        </li>
+
+{% endif %}
 			    
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Radius of gyration based
+			  <div class="col-md-2"> Radius of gyration based
 			  on C<sup>α</sup> coordinates </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
 			  width="500"> </div>
 			</li>
@@ -307,34 +494,75 @@ Created {{ task.created_date  }}
 		
 			   {% if task.md_pdbref %}
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> RMSD </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> C<sup>&alpha;</sup> RMSD </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
 			  width="500"> </div>
 			</li>
+
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> fraction of native
+			  side-chain concacts </div>
+			  <div class="col-md-10"> <img 
+			  src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
+			  width="500"> </div>
+			</li>
+			
+			   {% endif %}
+
+			   {% if task.md_start == "pdbstart" %}
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> fluctuations </div>
+			  <div class="col-md-10"> <img 
+			  src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
+			  width="500"> </div>
+			</li>
+<!--
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> fluctuations putty on
+			  starting structure</div>
+			  <div class="col-md-10"> 
+			  <a
+			  href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
+			  <img 
+			  src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
+			  width="500"></a> </div>
+			</li>
+-->
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> fluctuations putty on
+			  starting structure NGL viewer</div>
+			  <div class="col-md-10" id="viewport_putty"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+
 			
 			   {% endif %}
+
+
+
 			{% endif %}
 			
-			{% if task.type == "remd" %}
+			{% if task.type == "remd" or task.type == "dock" %}
 			
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Energy histogram </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Energy histogram </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
 			  width="500"> </div>
 			</li>
 
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Energy vs. temperature </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Energy vs. temperature </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
 			  width="500"> </div>
 			</li>
 			
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Cv vs. temperature </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Cv vs. temperature </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
 			  width="500"> </div>
 			</li>
@@ -342,94 +570,703 @@ Created {{ task.created_date  }}
 			   {% if task.md_pdbref %}
 
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> Average RMSD vs. temperature </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> Average C<sup>&alpha;</sup> RMSD vs. temperature </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
 			  width="500"> </div>
 			</li>
 
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> potential energy vs. RMSD</div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> potential energy vs.
+			  C<sup>&alpha;</sup> RMSD</div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
 			  width="500"> </div>
 			</li>
 
+                        <li class="list-group-item task-item">
+			  <div class="col-md-2"> C<sup>&alpha;</sup> RMSD vs. step*replica
+			  colored by bath temperature</div>
+			  <div class="col-md-10"> <img 
+			  src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
+			  width="500"> </div>
+			</li>
+
 			
 			   {% endif %} 
                           
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> exchanges (walk in T) </div>
-			  <div class="col-xs-10"> <img 
+			  <div class="col-md-2"> exchanges (walk in T) </div>
+			  <div class="col-md-10"> <img 
 			  src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
 			  width="500"> </div>
 			</li>
-
+			
+			   {% if task.saxs_data != "" %}
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> model1 after conversion
+			  <div class="col-md-2"> P(r) of input SAXS data and
+			  calculated for 5 models and the input pdb</div>
+			  <div class="col-md-10"> <img 
+			  src="/myfiles/download-file/{{task.jobdirname}}/saxs.png"
+			  width="500"> </div>
+			</li>
+    		           {% endif %}
+			
+	<li class="list-group-item task-item">
+	<div class="col-md-4">
+        <button onclick="plusDivs(-1)">&#10094;</button> 
+        </div>
+        <div class="col-md-6">
+        select model
+        </div>
+        <div class="col-md-2">
+        <button onclick="plusDivs(1)">&#10095;</button>
+	</div>
+	</li>		
+			
+                        <div class="model">
+<!--			<li class="list-group-item task-item">
+			  <div class="col-md-2"> model1 after conversion
 			  to allatom 
 			  {{ task.remd_model1|linebreaks }}
 			  </div>
-			  <div class="col-xs-10"> 
+			  <div class="col-md-10"> 
 			  <a
 			  href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
 			  <img
 			  src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
 			  </a></div>
-			</li>
+			</li> -->			
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> model2 after conversion
+			  <div class="col-md-2"> model1 
+			  {% if not task.damino %}
+			  after conversion to allatom 
+			  {% endif %}
+			  {{ task.remd_model1|linebreaks }}
+			  NGL viewer</div>
+			  <div class="col-md-10" id="viewport_M1"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+                        <li class="list-group-item task-item">
+               <div class="col-md-12">
+               {% if task.md_pdbref %}
+               <button id="toggleRefM1">Reference structure on/off</button>
+               {% endif %}
+               <button id="toggleSidechainsM1">Side-chains on/off</button>
+               <a class="btn btn-default"
+               href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">Download</a>               
+               </div>
+                        </li>
+			
+			</div>
+			<div class="model">
+<!--			<li class="list-group-item task-item">
+			  <div class="col-md-2"> model2 after conversion
 			  to allatom 
 			  {{ task.remd_model2|linebreaks }}
 			  </div>
-			  <div class="col-xs-10"> 
+			  <div class="col-md-10"> 
 			  <a
 			  href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
 			  <img
 			  src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
 			  </a></div>
-			</li>
+			</li> -->
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> model3 after conversion
+			  <div class="col-md-2"> model2 
+			  {% if not task.damino %}
+			  after conversion to allatom
+			  {% endif %}
+			  {{ task.remd_model2|linebreaks }}
+			  NGL viewer</div>
+			  <div class="col-md-10" id="viewport_M2"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+                        <li class="list-group-item task-item">
+               <div class="col-md-12">
+               {% if task.md_pdbref %}
+               <button id="toggleRefM2">Reference structure on/off</button>
+               {% endif %}
+               <button id="toggleSidechainsM2">Side-chains on/off</button>
+               <a class="btn btn-default"
+               href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">Download</a>               
+               </div>
+                        </li>
+			
+			
+			</div>
+			<div class="model">
+<!--			<li class="list-group-item task-item">
+			  <div class="col-md-2"> model3 after conversion
 			  to allatom 
 			  {{ task.remd_model3|linebreaks }}
 			  </div>
-			  <div class="col-xs-10"> 
+			  <div class="col-md-10"> 
 			  <a
 			  href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
 			  <img
 			  src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
 			  </a></div>
-			</li>
+			</li>-->
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> model4 after conversion
+			  <div class="col-md-2"> model3 
+			  {% if not task.damino %}
+			  after conversion to allatom
+			  {% endif %}
+			  {{ task.remd_model3|linebreaks }}
+			  NGL viewer</div>
+			  <div class="col-md-10" id="viewport_M3"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+                        <li class="list-group-item task-item">
+               <div class="col-md-12">
+               {% if task.md_pdbref %}
+               <button id="toggleRefM3">Reference structure on/off</button>
+               {% endif %}
+               <button id="toggleSidechainsM3">Side-chains on/off</button>
+               <a class="btn btn-default"
+               href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">Download</a>               
+               </div>
+                        </li>
+			
+			</div>
+			<div class="model">
+<!--			<li class="list-group-item task-item">
+			  <div class="col-md-2"> model4 after conversion
 			  to allatom 
 			  {{ task.remd_model4|linebreaks }}
 			  </div>
-			  <div class="col-xs-10"> 
+			  <div class="col-md-10"> 
 			  <a
 			  href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
 			  <img
 			  src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
 			  </a></div>
-			</li>
+			</li>-->
 			<li class="list-group-item task-item">
-			  <div class="col-xs-10"> model5 after conversion
+			  <div class="col-md-2"> model4 
+			  {% if not task.damino %}
+			  after conversion to allatom
+			  {% endif %}
+			  {{ task.remd_model4|linebreaks }}
+			  NGL viewer</div>
+			  <div class="col-md-10" id="viewport_M4"
+			  style="width:500px;height:500px;"> 
+			  </div>
+			</li>
+                        <li class="list-group-item task-item">
+               <div class="col-md-12">
+               {% if task.md_pdbref %}
+               <button id="toggleRefM4">Reference structure on/off</button>
+               {% endif %}
+               <button id="toggleSidechainsM4">Side-chains on/off</button>
+               <a class="btn btn-default"
+               href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">Download</a>               
+               </div>
+                        </li>
+			
+			</div>
+			<div class="model">
+<!--			<li class="list-group-item task-item">
+			  <div class="col-md-2"> model5 after conversion
 			  to allatom 
 			  {{ task.remd_model5|linebreaks }}
 			  </div>
-			  <div class="col-xs-10"> 
+			  <div class="col-md-10"> 
 			  <a
 			  href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
 			  <img
 			  src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">
 			  </a></div>
+			</li>-->
+			<li class="list-group-item task-item">
+			  <div class="col-md-2"> model5 
+			  {% if not task.damino %}
+			  after conversion to allatom 
+			  {% endif %}
+			  {{ task.remd_model5|linebreaks }}
+			  NGL viewer</div>
+			  <div class="col-md-10" id="viewport_M5"
+			  style="width:500px;height:500px;"> 
+			  </div>
 			</li>
-
+                        <li class="list-group-item task-item">
+               <div class="col-md-12">
+               {% if task.md_pdbref %}
+               <button id="toggleRefM5">Reference structure on/off</button>
+               {% endif %}
+               <button id="toggleSidechainsM5">Side-chains on/off</button>
+               <a class="btn btn-default"
+               href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">Download</a>               
+               </div>
+                        </li>
 			
+			</div>
 			{% endif %}
 
 	{% endif %}		
 
 	</ul>
+	
+<script src="/static/jquery.min.js"></script>
+<script src="https://unpkg.com/ngl"></script>
+
+<script>
+$('.majorpointslegend').click(function(){
+    $(this.parentNode).find('.hiders').toggle();
+    if($(this.parentNode).find('.majorpointslegend').text()=='Show input parameters'){
+        $(this.parentNode).find('.majorpointslegend').text('Hide input parameters');
+    }else{
+        $(this.parentNode).find('.majorpointslegend').text('Show input parameters');
+    }    
+});
+</script>
+
+{% if task.type == "remd" or task.type == "dock" %}
+<script>
+function display_model(numstr){
+
+{% if task.md_pdbref %}
+  var stage = new NGL.Stage("viewport_M"+numstr);
+  stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
+  Promise.all([
+      stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/plik1.pdb" ,{defaultRepresentation: false}) .then( function( o ){
+        o.addRepresentation( "cartoon",{ name:"ref", color:"grey"
+        })
+        o.addRepresentation( "line", {name:"refsc",visible: false,
+         sele:"not hydrogen and sidechainAttached"
+        })    
+        return o
+      }),
+      stage.loadFile(
+      "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
+ {% if task.damino %}
+        o.addRepresentation( "licorice",{ name: "unres", color:
+               "residueindex",colorScale:["blue","cyan", "green",
+               "yellow","orange", "red"], sele:".CA"
+                       })
+        o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+        , sele:"*" })    
+ {% else %}
+        o.addRepresentation( "cartoon",{ name: "unres", color:
+               "residueindex",colorScale:["blue","cyan", "green",
+               "yellow","orange", "red"]
+                       })
+        o.addRepresentation( "line",{ name: "unressc", visible: false, color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+        , sele:"not hydrogen and sidechainAttached" })    
+ {% endif %}
+        return o
+      })
+  ]).then(function (ol1) {
+   ol1[ 1 ].superpose(ol1[ 0 ], false, ".CA")
+   ol1[ 0 ].autoView()
+  })             
+            var ref=true;
+            var side=false;
+            var toggleAll = document.getElementById( "toggleRefM"+numstr );
+            toggleAll.addEventListener( "click", function(){
+                        ref=! ref;                                
+			stage.getRepresentationsByName(
+				"ref" ).list.forEach( function( repre ){
+				repre.setVisibility( !repre.visible );
+			} );
+		if (side) {
+			stage.getRepresentationsByName(
+				"refsc" ).list.forEach( function( repre ){
+				repre.setVisibility( !repre.visible );
+			} );
+	        }
+
+            } );
+     var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
+     toggleSidechains.addEventListener( "click", function(){
+             side=!side;
+             if (ref) {
+	         stage.getRepresentationsByName(
+	                "refsc" ).list.forEach( function( repre ){
+			repre.setVisibility( !repre.visible );
+	     } );
+      }
+      stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
+			repre.setVisibility( !repre.visible );
+	} );
+
+      } );
+{% else %}
+  var stage = new NGL.Stage("viewport_M"+numstr);
+  stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
+  stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
+ {% if task.damino %}
+        o.addRepresentation( "licorice",{ name: "unres", color:
+               "residueindex",colorScale:["blue","cyan", "green",
+               "yellow","orange", "red"],sele:".CA"
+                       });
+        o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+        , sele:"*" });
+ {% else %}
+        o.addRepresentation( "cartoon",{ name: "unres", color:
+               "residueindex",colorScale:["blue","cyan", "green",
+               "yellow","orange", "red"]
+                       });
+        o.addRepresentation( "line",{ name: "unressc", visible: false, color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+        , sele:"not hydrogen and sidechainAttached" });
+ {% endif %}
+        o.autoView();
+  })             
+     var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
+     toggleSidechains.addEventListener( "click", function(){
+      stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
+			repre.setVisibility( !repre.visible );
+	} );
+
+      } );
+
+{% endif %}
+}
+
+
+window.addEventListener("resize", 
+function (event) {
+      stage.handleResize();
+},false);
+
+
+display_model("1")
+
+
+var slideIndex = 1;
+var y = document.getElementsByClassName("model");
+var lista=[];
+var ii;
+for (ii = 0; ii < y.length; ii++) {
+ lista.push(0)
+}
+lista[0]=1;
+showDivs(slideIndex);
+
+function plusDivs(n) {
+  showDivs(slideIndex += n);
+}
+
+function showDivs(n) {
+  var i;
+  var x = document.getElementsByClassName("model");
+  if (n > x.length) {slideIndex = 1}
+  if (n < 1) {slideIndex = x.length}
+  for (i = 0; i < x.length; i++) {
+     x[i].style.display = "none";
+  }
+  x[slideIndex-1].style.display = "block";
+  
+  if (lista[slideIndex-1] == 0 && slideIndex == 2) {
+    display_model("2")  
+  }
+  
+  if (lista[slideIndex-1] == 0 && slideIndex == 3) {
+     display_model("3")  
+  }
+
+  if (lista[slideIndex-1] == 0 && slideIndex == 4) {
+     display_model("4")  
+  }
+
+  if (lista[slideIndex-1] == 0 && slideIndex == 5) {
+     display_model("5")  
+  }
+    
+  
+  if (lista[slideIndex-1] == 0) {lista[slideIndex-1]=1}
+}
+</script>
+{% endif %}
+
+{% if not task.done %}
+<script>
+function worker() {
+  $.ajax({
+    data:{csrfmiddlewaretoken: '{{ csrf_token }}'},
+    url: "/refresh_done/", 
+    type:"post",
+    success: function(data) {
+      document.location.reload();
+    },
+    complete: function() {
+      // Schedule the next request when the current one's complete
+      setTimeout(worker, 30000);
+    }
+  });
+};
+$(document).ready(function() {
+  // run the first time; all subsequent calls will take care of themselves
+  setTimeout(worker, 30000);
+});
+</script>
+{% endif %}	
+
+{% if task.type == "min" %}
+<script>
+window.addEventListener("resize",
+     function (event) {
+     stage.handleResize();
+     },false);
+               
+var stage_unres = new NGL.Stage("viewport_unres");
+stage_unres.setParameters( { backgroundColor: "white" } );
+/**
+[color_Red, color_Green, color_Blue, ellipsoid_width, ellipsoid_length ]
+*/
+var resdb = {   'CYS': [1.000, 1.000, 0.000, 1.33741, 2.96868],
+                'MET': [0.000, 1.000, 0.000, 1.36694, 3.08863],
+                'PHE': [0.000, 0.392, 0.000, 1.48323, 3.04238],
+                'ILE': [0.000, 1.000, 0.000, 1.44098, 3.17389],
+                'LEU': [0.000, 1.000, 0.000, 1.51054, 2.52078],
+                'VAL': [0.000, 1.000, 0.000, 1.42072, 2.68924],
+                'TRP': [0.000, 0.392, 0.000, 1.23867, 3.47403],
+                'TYR': [0.596, 0.984, 0.596, 1.23060, 3.35434],
+                'ALA': [0.000, 1.000, 0.000, 1.23266, 1.72686],
+                'GLY': [1.000, 1.000, 1.000, 1.24626, 1.11383],
+                'THR': [1.000, 0.000, 1.000, 1.28674, 2.59210],
+                'SER': [1.000, 0.000, 1.000, 1.22820, 1.68800],
+                'GLN': [1.000, 0.000, 1.000, 1.24239, 2.22201],
+                'ASN': [1.000, 0.000, 1.000, 1.24447, 2.24946],
+                'GLU': [1.000, 0.000, 0.000, 1.25448, 2.05551],
+                'ASP': [1.000, 0.000, 0.000, 1.25417, 1.77556],
+                'HIS': [1.000, 0.000, 1.000, 1.21103, 3.02627],
+                'ARG': [0.000, 0.000, 1.000, 1.13573, 3.25143],
+                'LYS': [0.000, 0.000, 1.000, 1.22604, 4.50054],
+                'PRO': [0.000, 1.000, 1.000, 1.35131, 2.20525]
+                        };
+stage_unres.loadFile("/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb", {defaultRepresentation: false}).then
+       (function ( o ){
+       var shape = new NGL.Shape("shape")
+       var chain = ""
+       o.addRepresentation("licorice");
+       o.structure.eachAtom(function(atom){
+         if (atom.atomname == "CA" && atom.chainname == chain) {
+          px=CAx+(atom.x-CAx)/2;
+          py=CAy+(atom.y-CAy)/2;
+          pz=CAz+(atom.z-CAz)/2;
+          shape.addSphere([px,py,pz],[0.643, 0.933, 0.960],0.6,"p");
+         }
+         if (atom.atomname == "CA") {
+         chain= atom.chainname
+         CAx= atom.x;
+         CAy= atom.y
+         CAz= atom.z
+         }
+         if (atom.atomname == "CB") {
+          mx = (atom.x-CAx);
+          my = (atom.y-CAy);
+          mz = (atom.z-CAz);
+          norm=Math.sqrt(mx*mx+my*my+mz*mz);
+          res=atom.resname;
+          var longaxis=resdb[res][4]
+          var shortaxis=resdb[res][3]
+          mx = mx /norm*longaxis;
+          my = my /norm*longaxis;
+          mz = mz /norm*longaxis;
+          resn=res+atom.resno
+          shape.addEllipsoid([ atom.x, atom.y, atom.z ], 
+              [ resdb[res][0], resdb[res][1], resdb[res][2]], 
+              shortaxis, [ mx, my, mz ], [ 0, shortaxis, 0 ],resn);
+         }
+       });
+       var shapeComp = stage_unres.addComponentFromObject(shape)
+       shapeComp.addRepresentation("buffer")
+       o.autoView();
+});
+
+
+
+var stage = new NGL.Stage("viewport_min");
+stage.setParameters( { backgroundColor: "white" } );
+Promise.all([
+  stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb" ,{defaultRepresentation: false}) .then( function( o ){
+     o.addRepresentation( "backbone",{ color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+     })
+     o.addRepresentation( "licorice",{ color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange","red"]
+     })    
+     return o
+  }),
+      
+  stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik.pdb",{defaultRepresentation: false}) .then( function( o ){
+     o.addRepresentation( "backbone",{ name: "allatom", color:
+       "residueindex",colorScale:["blue","cyan", "green","yellow","orange", "red"]
+     })
+     o.addRepresentation( "line",{ name: "allatomsc", color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+       ,sele:"not hydrogen and sidechainAttached" 
+     })    
+     return o
+  })
+]).then(function (ol) {
+   ol[ 0 ].superpose(ol[ 1 ], false, ".CA")
+   ol[ 0 ].autoView()
+})             
+
+var allatom=true;
+var side=true;
+var toggleAll = document.getElementById( "toggleAllatom" );
+toggleAll.addEventListener( "click", function(){
+                        allatom=! allatom;                                
+			stage.getRepresentationsByName(
+				"allatom" ).list.forEach( function( repre ){
+				repre.setVisibility( !repre.visible );
+			} );
+            if (side) {
+			stage.getRepresentationsByName(
+				"allatomsc" ).list.forEach( function( repre ){
+				repre.setVisibility( !repre.visible );
+			} );
+            }
+} );
+var toggleSidechains = document.getElementById("toggleSidechains2" );
+toggleSidechains.addEventListener( "click", function(){
+          side=!side;
+          if (allatom) {
+		stage.getRepresentationsByName(
+			"allatomsc" ).list.forEach( function( repre ){
+				repre.setVisibility( !repre.visible );
+		} );
+					              
+	  }
+	  stage.getRepresentationsByName("licorice").list.forEach( function( repre ){
+		repre.setVisibility( !repre.visible );
+	  } );
+
+} );
+</script>
+{% endif %}
+
+{% if task.type == "md" and task.md_start == "pdbstart" %}
+<script>
+window.addEventListener("resize",
+     function (event) {
+     stage.handleResize();
+     },false);
+
+var stage = new NGL.Stage("viewport_putty");
+stage.setParameters( { backgroundColor: "white" } );
+
+var tooltip = document.createElement("div")
+Object.assign(tooltip.style, {
+  display: "none",
+  position: "fixed",
+  zIndex: 10,
+  pointerEvents: "none",
+  backgroundColor: "rgba( 0, 0, 0, 0.6 )",
+  color: "lightgrey",
+  padding: "8px",
+  fontFamily: "sans-serif"
+})
+document.body.appendChild(tooltip)
+
+stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik_bf.pdb", {defaultRepresentation: false}).then 
+       (function ( o ){
+       o.addRepresentation("tube",{ color: "bfactor" , scale: 0.25,
+       sele: "backbone",
+       radius:"bfactor",
+       colorScale:["blue","cyan", "green", "yellow","orange", "red"] });
+       o.addRepresentation("licorice",{sele:"sidechainAttached and CYS and not hydrogen"});
+       o.autoView();
+})
+
+// remove default hoverPick mouse action
+stage.mouseControls.remove("hoverPick")
+
+stage.signals.hovered.add(function (pickingProxy) {
+  if (pickingProxy && (pickingProxy.atom || pickingProxy.bond)) {
+    var atom = pickingProxy.atom || pickingProxy.closestBondAtom
+    var mp = pickingProxy.mouse.position
+    var bf= atom.bfactor.toFixed(2)
+    tooltip.innerText = atom.qualifiedName()+" Fluctuation="+ bf
+    tooltip.style.bottom = window.innerHeight - mp.y + 3 + "px"
+    tooltip.style.left = mp.x + 3 + "px"
+    tooltip.style.display = "block"
+  } else {
+    tooltip.style.display = "none"
+  }
+})
+</script>
+{% endif %}	
+
+{% if task.type == "md" and task.md_mdpdb %}
+<script>
+window.addEventListener("resize",
+     function (event) {
+     stage.handleResize();
+     },false);
+
+      var stage = new NGL.Stage("viewport_traj");
+      stage.setParameters( { backgroundColor: "white" } );
+      stage.setParameters( { cameraType: "orthographic" } ); 
+      var traj;
+      var player;
+      stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_MD000.pdb", { 
+       asTrajectory: true } ) .then( function( o ){
+        o.setName ("unres_md");
+        o.addRepresentation( "backbone",{ color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+        });
+        o.addRepresentation( "licorice",{ color:
+       "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
+        });        
+        o.setPosition([0, 0, 100]);
+        o.autoView();
+        o.addTrajectory();
+      });
+
+            var toggleSidechains = document.getElementById( "toggleSidechains1" );
+            toggleSidechains.addEventListener( "click", function(){
+							stage.getRepresentationsByName( "licorice" ).list.forEach( function( repre ){
+									repre.setVisibility( !repre.visible );
+							} );
+            } );
+
+
+      function numberWithCommas(x) {
+                return x.toString().replace(/\B(?=(\d{3})+(?!\d))/g, ",");
+      }
+      var toggleRunMDs = document.getElementById( "toggleRunMDs" );
+      var isRunning = false;
+      toggleRunMDs.addEventListener( "click", function(){
+         var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
+         var player = new NGL.TrajectoryPlayer(trajComp.trajectory, {timeout: 10, mode: "once"});
+				if( !isRunning ){
+					player.play();
+					isRunning = true;
+
+                    trajComp.signals.frameChanged.add(function(){
+                      var fnum=trajComp.trajectory.currentFrame+1;                   
+                      clipRange.value = fnum;
+                      clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
+                    });
+
+				}else{
+			   	        player.play();
+					player.pause();
+					isRunning = false;
+				}
+      } );      
+      var clipRange = document.getElementById( "clipRange" );
+      var clipRange_val = document.getElementById( "clipRange_val" );
+      clipRange.oninput = function( e ){
+                var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
+                trajComp.setFrame(e.target.value-1)
+                clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
+      };      
+
+</script>
+{% endif %}	
+
+
 {% endblock %}