{% extends "base.html" %}
+{% load index %}
{% load i18n lazysignup_tags %}
{% block content %}
<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;">
<div class="col-md-6">{{ task.md_start}}</div>
</li>
+<!-- -->
+ <li class="list-group-item task-item">
+ <div class="col-md-6"> input pdb3 </div>
+ <div class="col-md-6">{{ task.myfile3 }}</div>
+ </li>
+<!-- -->
+
<li class="list-group-item task-item">
<div class="col-md-6"> input pdb </div>
<div class="col-md-6">{{ task.myfile1 }}</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-6"> nrep </div>
<div class="col-md-6"> starting </div>
<div class="col-md-6">{{ task.md_start}}</div>
</li>
+<!-- -->
+ {% if task.type == "remd" %}
+ <li class="list-group-item task-item">
+ <div class="col-md-6"> input pdb3 </div>
+ <div class="col-md-6">{{ task.myfile3 }}</div>
+ </li>
+<!-- -->
<li class="list-group-item task-item">
<div class="col-md-6"> input pdb </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>
<div class="col-md-6"> temperature for clustering</div>
<div class="col-md-6">{{ task.remd_cluter_temp}}</div>
</li>
+ <li class="list-group-item task-item">
+ <div class="col-md-6"> number of clusters</div>
+ <div class="col-md-6">{{ task.remd_cluster_n}}</div>
+ </li>
+
{% if task.saxs_data != "" %}
<li class="list-group-item task-item">
<div class="col-md-6"> wsaxs </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>
{% 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>
<button onclick="plusDivs(1)">❯</button>
</div>
</li>
-
+
+ {% for iii in range %}
+
+ {% with istr=forloop.counter|stringformat:"s" %}
+ {% with MODELi="MODEL"|add:istr|add:".pdb" %}
+ {% with viewporti="viewport_M"|add:istr %}
+ {% with toggleRefi="toggleRefM"|add:istr %}
+ {% with toggleSidechainsi="toggleSidechainsM"|add:istr %}
+
<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-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 class="list-group-item task-item">
- <div class="col-md-2"> model1
+ <div class="col-md-2"> model {{ iii }}
{% 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-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 class="list-group-item task-item">
- <div class="col-md-2"> model2
- {% if not task.damino %}
- after conversion to allatom
- {% endif %}
- {{ task.remd_model2|linebreaks }}
+ {{ remd_models|index:iii|linebreaks }}
NGL viewer</div>
- <div class="col-md-10" id="viewport_M2"
+ <div class="col-md-10" id={{viewporti}}
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>
+ <button id={{toggleRefi}}>Reference structure on/off</button>
{% endif %}
- <button id="toggleSidechainsM2">Side-chains on/off</button>
+ <button id={{toggleSidechainsi}}>Side-chains on/off</button>
<a class="btn btn-default"
- href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">Download</a>
+ href="/myfiles/download-file/{{task.jobdirname}}/{{MODELi}}">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-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 class="list-group-item task-item">
- <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-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 class="list-group-item task-item">
- <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-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>
+ {% endwith %}
+ {% endwith %}
+ {% endwith %}
+ {% endwith %}
+ {% endwith %}
+ {% endfor %}
+
{% endif %}
{% endif %}
});
</script>
-{% if task.type == "remd" %}
+{% if task.type == "remd" or task.type == "dock" %}
<script>
-function display_model(numstr){
+function display_model(num){
+ numstr=num.toString();
{% if task.md_pdbref %}
var stage = new NGL.Stage("viewport_M"+numstr);
stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
},false);
-display_model("1")
+display_model(1)
var slideIndex = 1;
}
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) {
+ display_model(slideIndex)
}