| @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 |