blob: bb9cac769c4b5b052c25d839bfd20e6a0ba35a2c [file] [log] [blame]
@extends('layout.basic')
{{ HTML::script('js/datacat/jquery-1.7.min.js')}}
{{ HTML::script('js/datacat/Three.js')}}
{{ HTML::script('js/datacat/GLmol.js')}}
@section('page-header')
@parent
@stop
@section('content')
<div style="margin: 25px">
@if ( isset($results))
@if (sizeof($results) != 0)
<div id="re" class="table-responsive">
<table class="table">
<tr>
<th>FinalGeom</th>
<th>InChI</th>
<th>Formula</th>
<th>Energy</th>
<th>ZPE</th>
<th>CalcType</th>
<th>Methods</th>
<th>Basis</th>
<th>Enthalpy</th>
<th>Gibbs</th>
<th>NImag</th>
<th>CodeVersion</th>
</tr>
@foreach($results as $key=>$result)
@if(isset($result['InChI']))
<tr>
<td>
<div id="mol_{{$key}}" style="width: 100px; height: 100px; background-color: black;"></div>
@if(isset($result['PDB']))
<textarea id="mol_{{$key}}_src" style="display: none;">{{$result['PDB']}}</textarea>
<script type="text/javascript">
$( document ).ready(function() {
var mol_{{$key}} = new GLmol('mol_{{$key}}', true);
mol_{{$key}}.defineRepresentation = function () {
var all = this.getAllAtoms();
var hetatm = this.removeSolvents(this.getHetatms(all));
this.colorByAtom(all, {});
this.colorByChain(all);
var asu = new THREE.Object3D();
this.drawBondsAsStick(asu, hetatm, this.cylinderRadius, this.cylinderRadius);
this.drawBondsAsStick(asu, this.getResiduesById(this.getSidechains(this.getChain(all, ['A'])), [58, 87]),
this.cylinderRadius, this.cylinderRadius);
this.drawBondsAsStick(asu, this.getResiduesById(this.getSidechains(this.getChain(all, ['B'])), [63, 92]),
this.cylinderRadius, this.cylinderRadius);
this.drawCartoon(asu, all, this.curveWidth, this.thickness);
this.drawSymmetryMates2(this.modelGroup, asu, this.protein.biomtMatrices);
this.modelGroup.add(asu);
};
mol_{{$key}}.loadMolecule();
});
</script>
@endif
</td>
<td>@if(isset($result['InChI']))<a href="summary" target="_blank">{{$result['InChI']}}</a>@endif</td>
<td>@if(isset($result['Formula'])){{$result['Formula']}}@endif</td>
<td>@if(isset($result['Energy'])){{$result['Energy']}}@endif</td>
<td>@if(isset($result['ZPE'])){{$result['ZPE']}}@endif</td>
<td>@if(isset($result['CalcType'])){{$result['CalcType']}}@endif</td>
<td>@if(isset($result['Methods'])){{$result['Methods']}}@endif</td>
<td>@if(isset($result['Basis'])){{$result['Basis']}}@endif</td>
<td>@if(isset($result['Enthalpy'])){{$result['Enthalpy']}}@endif</td>
<td>@if(isset($result['Gibbs'])){{$result['Gibbs']}}@endif</td>
<td>@if(isset($result['NImag'])){{$result['NImag']}}@endif</td>
<td>@if(isset($result['CodeVersion'])){{$result['CodeVersion']}}@endif</td>
</tr>
@endif
@endforeach
</table>
</div>
@endif
@endif
</div>
@stop