{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
<li class="list-group-item task-item">
<div class="col-md-6"> nrep </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>
+ <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">
<div class="col-md-6"> seed </div>
<div class="col-md-6">{{ task.md_seed}}</div>
<a href="/myfiles/list/{{task.jobdirname}}/">
{{ task.jobdirname }}
</a>
+ {% if task.done %}
+
+ <a class="btn btn-default"
+ href="/{{task.id}}/all.zip">
+ Download as zip</a>
+ {% endif %}
</div>
</li>
{% 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>α</sup> RMSD </div>
<div class="col-md-10"> <img
src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
width="500"> </div>
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
<li class="list-group-item task-item">
<div class="col-md-2"> Energy histogram </div>
{% 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>α</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>α</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>α</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"
});
</script>
-{% if task.type == "remd" %}
+{% if task.type == "remd" or task.type == "dock" %}
<script>
function display_model(numstr){