</li>
<div class="model">
- <li class="list-group-item task-item">
+<!-- <li class="list-group-item task-item">
<div class="col-md-2"> model1 after conversion
to allatom
{{ task.remd_model1|linebreaks }}
<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 after conversion
+ to allatom {{ 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>
+ </div>
+ </li>
+
</div>
<div class="model">
- <li class="list-group-item task-item">
+<!-- <li class="list-group-item task-item">
<div class="col-md-2"> model2 after conversion
to allatom
{{ task.remd_model2|linebreaks }}
<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 after conversion
+ to allatom {{ 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>
+ </div>
+ </li>
+
+
</div>
<div class="model">
- <li class="list-group-item task-item">
+<!-- <li class="list-group-item task-item">
<div class="col-md-2"> model3 after conversion
to allatom
{{ task.remd_model3|linebreaks }}
<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 after conversion
+ to allatom {{ 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>
+ </div>
+ </li>
+
</div>
<div class="model">
- <li class="list-group-item task-item">
+<!-- <li class="list-group-item task-item">
<div class="col-md-2"> model4 after conversion
to allatom
{{ task.remd_model4|linebreaks }}
<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 after conversion
+ to allatom {{ 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>
+ </div>
+ </li>
+
</div>
<div class="model">
- <li class="list-group-item task-item">
+<!-- <li class="list-group-item task-item">
<div class="col-md-2"> model5 after conversion
to allatom
{{ task.remd_model5|linebreaks }}
<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 after conversion
+ to allatom {{ 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>
+ </div>
+ </li>
+
</div>
{% endif %}
</ul>
<script src="/static/jquery.min.js"></script>
+<script src="https://unpkg.com/ngl"></script>
<script>
$('.majorpointslegend').click(function(){
{% if task.type == "remd" %}
<script>
+function display_model(numstr){
+
+{% if task.md_pdbref %}
+ var stage = new NGL.Stage("viewport_M"+numstr);
+ stage.setParameters( { backgroundColor: "white" } );
+ 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 ){
+ 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" })
+ return o
+ })
+ ]).then(function (ol1) {
+ ol1[ 0 ].superpose(ol1[ 1 ], 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" } );
+ stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
+ 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" });
+ 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) {
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 %}
</script>
{% endif %}
-<script src="https://unpkg.com/ngl"></script>
+
{% if task.type == "min" %}
<script>
window.addEventListener("resize",