UNRES-Dock restart

[django_unres.git] / django_simple / todo / templates / details.html

diff --git a/django_simple/todo/templates/details.html b/django_simple/todo/templates/details.html
index d32f9fe..bbdebb8 100644 (file)
--- a/django_simple/todo/templates/details.html
+++ b/django_simple/todo/templates/details.html
@@ -43,7 +43,7 @@ Created {{ task.created_date  }}
                                <div class="col-md-8">
                                        {% if task.done %}
                                                <span class="fa fa-check-square-o"></span>
-                                           {% if task.type == "md" or task.type == "remd" %}
+                                           {% if task.type == "md" or task.type == "remd" or task.type == "dock" %}
                                              <form action="restart/"
                                                method="get"
                                                style="text-align;float:right;">
@@ -60,6 +60,9 @@ Created {{ task.created_date  }}
                                                <span class="fa fa-spinner
                                                fa-spin"></span>
                                                {{ task.running }}%
+                                             {% if task.running == 100  %}
+                                             postprocessing
+                                             {% endif %}
                                          {% else %}
                                                <span class="fa fa-square-o"></span>
                                          {% endif %}
@@ -77,6 +80,12 @@ Created {{ task.created_date  }}
                            <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-md-6"> pbsjob </div>
+                           <div class="col-md-6">{{ task.pbsjob }}</div>
+                       </li>           
+
          
                        <li class="list-group-item task-item">
                            <div class="col-md-6"> force field </div>
@@ -253,6 +262,10 @@ Created {{ task.created_date  }}
                            <div class="col-md-6"> pdb code2</div>
                            <div class="col-md-6">{{ task.pdbcode2 }}</div>
                        </li>           
+                       <li class="list-group-item task-item">
+                           <div class="col-md-6"> dock_peptide</div>
+                           <div class="col-md-6">{{ task.dock_peptide }}</div>
+                       </li>           
                        
                        {% endif %}
                        <li class="list-group-item task-item">
@@ -369,6 +382,12 @@ Created {{ task.created_date  }}
                            <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>           
 
@@ -466,7 +485,7 @@ Created {{ task.created_date  }}
                        </li>
                         <li class="list-group-item task-item">
                <div class="col-md-6">
-<input id="clipRange" type="range" value=0 min=0 max= {% widthratio task.md_total_steps task.md_ntwx 1 %} step=1 ></input><span id="clipRange_val">0</span> frame
+<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>  
@@ -488,7 +507,7 @@ Created {{ task.created_date  }}
                
                           {% if task.md_pdbref %}
                        <li class="list-group-item task-item">
-                         <div class="col-md-2"> RMSD </div>
+                         <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>
@@ -564,21 +583,22 @@ Created {{ task.created_date  }}
                           {% if task.md_pdbref %}
 
                        <li class="list-group-item task-item">
-                         <div class="col-md-2"> Average RMSD vs. temperature </div>
+                         <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-md-2"> potential energy vs. RMSD</div>
+                         <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"> RMSD vs. step*replica
+                         <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"
@@ -1213,6 +1233,7 @@ window.addEventListener("resize",
         o.addRepresentation( "licorice",{ color:
        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
         });        
+        o.setPosition([0, 0, 100]);
         o.autoView();
         o.addTrajectory();
       });
@@ -1238,7 +1259,7 @@ window.addEventListener("resize",
                                        isRunning = true;
 
                     trajComp.signals.frameChanged.add(function(){
-                      var fnum=trajComp.trajectory.currentFrame;                   
+                      var fnum=trajComp.trajectory.currentFrame+1;                   
                       clipRange.value = fnum;
                       clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
                     });
@@ -1253,7 +1274,7 @@ window.addEventListener("resize",
       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)
+                trajComp.setFrame(e.target.value-1)
                 clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
       };