<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>
</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>
{% 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>
{% 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"
o.addRepresentation( "licorice",{ color:
"residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
});
+ o.setPosition([0, 0, 100]);
o.autoView();
o.addTrajectory();
});
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));
});
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));
};