django_simple/todo/templates/details1.html

   1 {% extends "base.html" %}
   2
   3 {% load i18n lazysignup_tags %}
   4 {% block content %}
   5
   6 {% if task.owner|is_lazy_user %}
   7
   8 <ul class="list-group">
   9
  10 <li class="list-group-item new-task-item task-item">
  11
  12 <div class="col-md-2 form-group">
  13 <form action="/refresh_done1/{{task.id}}/" method="post">
  14 {% csrf_token %}
  15 <input type="submit" class="btn" value="Refresh" name="refreshbtn">
  16 </form>
  17 </div>
  18
  19 <div class="col-md-10 form-group">
  20 <h5 style="text-align:right;float:right;">
  21 {% if not task.done %}
  22  {% if task.running > 0  %}
  23   {% if task.running == 100  %}
  24   postprocessing
  25   {% else %}
  26   running
  27   {% endif %}
  28  {% else %}
  29   waiting in the queue to start
  30  {% endif %}
  31 {% endif %}
  32 </h5>
  33 </div>
  34 </li>
  35 </ul>
  36
  37 <h3> Task <b>{{ task.name }}</b></h3>
  38 Created {{ task.created_date  }}
  39         <ul class="list-group">
  40
  41                         <li class="list-group-item task-item">
  42                                 <div class="col-md-4"> done ?</div>
  43                                 <div class="col-md-8">
  44                                         {% if task.done %}
  45                                                 <span class="fa fa-check-square-o"></span>
  46                                             {% if task.type == "md" or task.type == "remd" %}
  47                                               <form action="restart/"
  48                                                 method="get"
  49                                                 style="text-align;float:right;">
  50                                                 {% csrf_token %}
  51                                                  <input type="submit"
  52                                                  class="btn btn-default"
  53                                                  value="Restart"
  54                                                  name="restartbtn">
  55                                                  </button>
  56                                               </form>
  57                                             {% endif %}
  58                                         {% else %}
  59                                           {% if task.running > 0  %}
  60                                                 <span class="fa fa-spinner
  61                                                 fa-spin"></span>
  62                                                 {{ task.running }}%
  63                                           {% else %}
  64                                                 <span class="fa fa-square-o"></span>
  65                                           {% endif %}
  66                                         {% endif %}
  67
  68                                 </div>
  69                         </li>
  70 <div>
  71     <fieldset class="majorpoints">
  72     <legend class="majorpointslegend"
  73     style="background-color:#d3d3d3;cursor: pointer;">Show input parameters</legend>
  74     <div class="hiders" style="display:none" >
  75
  76                         <li class="list-group-item task-item">
  77                             <div class="col-md-6"> type </div>
  78                             <div class="col-md-6">{{ task.type }}</div>
  79                         </li>
  80
  81                         <li class="list-group-item task-item">
  82                             <div class="col-md-6"> force field </div>
  83                             <div class="col-md-6">{{ task.unres_ff }}</div>
  84                         </li>
  85
  86                         <li class="list-group-item task-item">
  87                             <div class="col-md-4"> sequence </div>
  88                             <div class="col-md-8 monospace">{{ task.md_seq}}</div>
  89                         </li>
  90
  91                         <li class="list-group-item task-item">
  92                             <div class="col-md-4"> secondary structure
  93                             restraints </div>
  94                             <div class="col-md-8 monospace">{{ task.md_2d}}</div>
  95                         </li>
  96
  97
  98                         <li class="list-group-item task-item">
  99                             <div class="col-md-6"> SSBOND </div>
 100                             <div class="col-md-6">{{ task.ssbond}}</div>
 101                         </li>
 102
 103
 104         {% if task.type == "min" %}
 105
 106
 107                         <li class="list-group-item task-item">
 108                             <div class="col-md-6"> algorithm</div>
 109                             <div class="col-md-6">{{ task.min_choice }}</div>
 110                         </li>
 111                         <li class="list-group-item task-item">
 112                             <div class="col-md-6"> overlap</div>
 113                             <div class="col-md-6">{{ task.min_overlap }}</div>
 114                         </li>
 115                         <li class="list-group-item task-item">
 116                             <div class="col-md-6"> searchsc</div>
 117                             <div class="col-md-6">{{ task.min_searchsc }}</div>
 118                         </li>
 119                         <li class="list-group-item task-item">
 120                             <div class="col-md-6"> maxmin</div>
 121                             <div class="col-md-6">{{ task.min_maxmin }}</div>
 122                         </li>
 123                         <li class="list-group-item task-item">
 124                             <div class="col-md-6"> maxfun</div>
 125                             <div class="col-md-6">{{ task.min_maxfun }}</div>
 126                         </li>
 127                         <li class="list-group-item task-item">
 128                             <div class="col-md-6"> pdbout</div>
 129                             <div class="col-md-6">{{ task.min_pdbout }}</div>
 130                         </li>
 131                         <li class="list-group-item task-item">
 132                             <div class="col-md-6"> input pdb </div>
 133                             <div class="col-md-6">{{ task.myfile1 }}</div>
 134                         </li>
 135                         <li class="list-group-item task-item">
 136                             <div class="col-md-6"> pdb code</div>
 137                             <div class="col-md-6">{{ task.pdbcode }}</div>
 138                         </li>
 139                         <li class="list-group-item task-item">
 140                             <div class="col-md-6"> unres_pdb</div>
 141                             <div class="col-md-6">{{ task.min_unres_pdb }}</div>
 142                         </li>
 143
 144         {% endif %}
 145         {% if task.type == "md" %}
 146                         <li class="list-group-item task-item">
 147                             <div class="col-md-6"> starting </div>
 148                             <div class="col-md-6">{{ task.md_start}}</div>
 149                         </li>
 150
 151                         <li class="list-group-item task-item">
 152                             <div class="col-md-6"> input pdb </div>
 153                             <div class="col-md-6">{{ task.myfile1 }}</div>
 154                         </li>
 155                         <li class="list-group-item task-item">
 156                             <div class="col-md-6"> pdb code</div>
 157                             <div class="col-md-6">{{ task.pdbcode }}</div>
 158                         </li>
 159                         <li class="list-group-item task-item">
 160                             <div class="col-md-6"> seed </div>
 161                             <div class="col-md-6">{{ task.md_seed}}</div>
 162                         </li>
 163                         <li class="list-group-item task-item">
 164                             <div class="col-md-6"> pdbref </div>
 165                             <div class="col-md-6">{{ task.md_pdbref}}</div>
 166                         </li>
 167                         <li class="list-group-item task-item">
 168                             <div class="col-md-6"> respa </div>
 169                             <div class="col-md-6">{{ task.md_respa}}</div>
 170                         </li>
 171                         <li class="list-group-item task-item">
 172                             <div class="col-md-6"> temperature </div>
 173                             <div class="col-md-6">{{ task.md_temp}}</div>
 174                         </li>
 175                         <li class="list-group-item task-item">
 176                             <div class="col-md-6"> nstep </div>
 177                             <div class="col-md-6">{{ task.md_nstep}}</div>
 178                         </li>
 179                         <li class="list-group-item task-item">
 180                             <div class="col-md-6"> total steps (with restarts) </div>
 181                             <div class="col-md-6">{{ task.md_total_steps}}</div>
 182                         </li>
 183                         <li class="list-group-item task-item">
 184                             <div class="col-md-6"> ntwe </div>
 185                             <div class="col-md-6">{{ task.md_ntwe}}</div>
 186                         </li>
 187                         <li class="list-group-item task-item">
 188                             <div class="col-md-6"> ntwx </div>
 189                             <div class="col-md-6">{{ task.md_ntwx}}</div>
 190                         </li>
 191                         <li class="list-group-item task-item">
 192                             <div class="col-md-6"> dt </div>
 193                             <div class="col-md-6">{{ task.md_dt}}</div>
 194                         </li>
 195                         <li class="list-group-item task-item">
 196                             <div class="col-md-6"> thermostat </div>
 197                             <div class="col-md-6">{{ task.md_lang}}</div>
 198                         </li>
 199
 200                         {% if task.md_lang == "berendsen" %}
 201
 202                         <li class="list-group-item task-item">
 203                             <div class="col-md-6"> tau </div>
 204                             <div class="col-md-6">{{ task.md_tau}}</div>
 205                         </li>
 206
 207                         {% else %}
 208
 209                         <li class="list-group-item task-item">
 210                             <div class="col-md-6"> scal_fric </div>
 211                             <div class="col-md-6">{{ task.md_scal_fric}}</div>
 212                         </li>
 213
 214                         {% endif %}
 215
 216                         <li class="list-group-item task-item">
 217                             <div class="col-md-6"> mdpdb </div>
 218                             <div class="col-md-6">{{ task.md_mdpdb}}</div>
 219                         </li>
 220                         <li class="list-group-item task-item">
 221                             <div class="col-md-6"> RESPA </div>
 222                             <div class="col-md-6">{{ task.md_respa}}</div>
 223                         </li>
 224
 225
 226         {% endif %}
 227
 228         {% if task.type == "remd" or task.type == "dock" %}
 229
 230                         <li class="list-group-item task-item">
 231                             <div class="col-md-6"> nrep </div>
 232                             <div class="col-md-6">{{ task.remd_nrep}}</div>
 233                         </li>
 234                         <li class="list-group-item task-item">
 235                             <div class="col-md-6"> starting </div>
 236                             <div class="col-md-6">{{ task.md_start}}</div>
 237                         </li>
 238
 239                         <li class="list-group-item task-item">
 240                             <div class="col-md-6"> input pdb </div>
 241                             <div class="col-md-6">{{ task.myfile1 }}</div>
 242                         </li>
 243                         <li class="list-group-item task-item">
 244                             <div class="col-md-6"> pdb code</div>
 245                             <div class="col-md-6">{{ task.pdbcode }}</div>
 246                         </li>
 247                         {% if task.type == "dock" %}
 248                         <li class="list-group-item task-item">
 249                             <div class="col-md-6"> input pdb2 </div>
 250                             <div class="col-md-6">{{ task.myfile2 }}</div>
 251                         </li>
 252                         <li class="list-group-item task-item">
 253                             <div class="col-md-6"> pdb code2</div>
 254                             <div class="col-md-6">{{ task.pdbcode2 }}</div>
 255                         </li>
 256                         <li class="list-group-item task-item">
 257                             <div class="col-md-6"> dock_peptide</div>
 258                             <div class="col-md-6">{{ task.dock_peptide }}</div>
 259                         </li>
 260
 261                         {% endif %}
 262                         <li class="list-group-item task-item">
 263                             <div class="col-md-6"> seed </div>
 264                             <div class="col-md-6">{{ task.md_seed}}</div>
 265                         </li>
 266                         <li class="list-group-item task-item">
 267                             <div class="col-md-6"> pdbref </div>
 268                             <div class="col-md-6">{{ task.md_pdbref}}</div>
 269                         </li>
 270                         {% if task.md_start == "pdbstart" %}
 271                         <li class="list-group-item task-item">
 272                             <div class="col-md-6"> preminim maxfun </div>
 273                             <div class="col-md-6">{{ task.min_maxfun }}</div>
 274                         </li>
 275                         {% endif %}
 276                         <li class="list-group-item task-item">
 277                             <div class="col-md-6"> respa </div>
 278                             <div class="col-md-6">{{ task.md_respa}}</div>
 279                         </li>
 280                         <li class="list-group-item task-item">
 281                             <div class="col-md-6"> nstep </div>
 282                             <div class="col-md-6">{{ task.md_nstep}}</div>
 283                         </li>
 284                         <li class="list-group-item task-item">
 285                             <div class="col-md-6"> total steps (with restarts) </div>
 286                             <div class="col-md-6">{{ task.md_total_steps}}</div>
 287                         </li>
 288                         <li class="list-group-item task-item">
 289                             <div class="col-md-6"> ntwe </div>
 290                             <div class="col-md-6">{{ task.md_ntwe}}</div>
 291                         </li>
 292                         <li class="list-group-item task-item">
 293                             <div class="col-md-6"> nstex </div>
 294                             <div class="col-md-6">{{ task.remd_nstex}}</div>
 295                         </li>
 296                         <li class="list-group-item task-item">
 297                             <div class="col-md-6"> ntwx </div>
 298                             <div class="col-md-6">{{ task.md_ntwx}}</div>
 299                         </li>
 300                         <li class="list-group-item task-item">
 301                             <div class="col-md-6"> dt </div>
 302                             <div class="col-md-6">{{ task.md_dt}}</div>
 303                         </li>
 304                         <li class="list-group-item task-item">
 305                             <div class="col-md-6"> thermostat </div>
 306                             <div class="col-md-6">{{ task.md_lang}}</div>
 307                         </li>
 308
 309                         {% if task.md_lang == "berendsen" %}
 310
 311                         <li class="list-group-item task-item">
 312                             <div class="col-md-6"> tau </div>
 313                             <div class="col-md-6">{{ task.md_tau}}</div>
 314                         </li>
 315
 316                         {% else %}
 317
 318                         <li class="list-group-item task-item">
 319                             <div class="col-md-6"> scal_fric </div>
 320                             <div class="col-md-6">{{ task.md_scal_fric}}</div>
 321                         </li>
 322
 323                         {% endif %}
 324
 325                         <li class="list-group-item task-item">
 326                             <div class="col-md-6"> RESPA </div>
 327                             <div class="col-md-6">{{ task.md_respa}}</div>
 328                         </li>
 329
 330                         <li class="list-group-item task-item">
 331                             <div class="col-md-6"> temperatures </div>
 332                             <div class="col-md-6">{{ task.remd_multi_t}}</div>
 333                         </li>
 334                         <li class="list-group-item task-item">
 335                             <div class="col-md-6"> multiplex </div>
 336                             <div class="col-md-6">{{ task.remd_multi_m}}</div>
 337                         </li>
 338                         <li class="list-group-item task-item">
 339                             <div class="col-md-6"> temperature for clustering</div>
 340                             <div class="col-md-6">{{ task.remd_cluter_temp}}</div>
 341                         </li>
 342                         {% if task.saxs_data != "" %}
 343                         <li class="list-group-item task-item">
 344                             <div class="col-md-6"> wsaxs </div>
 345                             <div class="col-md-6">{{ task.wsaxs }}</div>
 346                         </li>
 347                         <li class="list-group-item task-item">
 348                             <div class="col-md-6"> scal_rad (saxs) </div>
 349                             <div class="col-md-6">{{ task.scal_rad }}</div>
 350                         </li>
 351                         <li class="list-group-item task-item">
 352                             <div class="col-md-6"> saxs distribution </div>
 353                             <div class="col-md-6"><pre> {{ task.saxs_data }}</pre></div>
 354                         </li>
 355                         {% endif %}
 356
 357         {% endif %}
 358
 359                         <li class="list-group-item task-item">
 360                             <div class="col-md-6"> Box X Y Z</div>
 361                             <div class="col-md-2">{{ task.boxx}}</div>
 362                             <div class="col-md-2">{{ task.boxy}}</div>
 363                             <div class="col-md-2">{{ task.boxz}}</div>
 364                         </li>
 365
 366 </div>
 367 </div>
 368         <p>
 369         <h3> Results </h3>
 370                         <li class="list-group-item task-item">
 371                             <div class="col-md-4"> Directory </div>
 372                             <div class="col-md-8">
 373                             <a href="/myfiles/list/{{task.jobdirname}}/">
 374                             {{ task.jobdirname }}
 375                             </a>
 376                             {% if task.done %}
 377                             &nbsp;
 378                             <a class="btn btn-default"
 379                             href="/{{task.id}}/all.zip">
 380                             Download as zip</a>
 381                             {% endif %}
 382                             </div>
 383                         </li>
 384
 385
 386         {% if task.done %}
 387
 388                         {% if task.type == "min" %}
 389
 390                         <li class="list-group-item task-item">
 391                             <div class="col-md-2"> Etot </div>
 392                             <div class="col-md-10">{{ task.etot }}</div>
 393                         </li>
 394 <!--
 395                         <li class="list-group-item task-item">
 396                           <div class="col-md-2"> UNRES model </div>
 397                           <div class="col-md-10">
 398                           <a
 399                            href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
 400                           <img
 401                           src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
 402                           width="500"></a> </div>
 403                         </li>
 404 -->
 405                         <li class="list-group-item task-item">
 406                           <div class="col-md-2"> UNRES model NGL viewer</div>
 407                           <div class="col-md-10" id="viewport_unres"
 408                           style="width:500px;height:500px;">
 409                           </div>
 410                         </li>
 411
 412
 413 <!--
 414                         <li class="list-group-item task-item">
 415                           <div class="col-md-2"> Structure overlap </div>
 416                           <div class="col-md-10"> <img
 417                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
 418                           width="500"> </div>
 419                         </li>
 420 -->
 421                         <li class="list-group-item task-item">
 422                           <div class="col-md-2"> Structure overlap NGL viewer</div>
 423                           <div class="col-md-10" id="viewport_min"
 424                           style="width:500px;height:500px;">
 425                           </div>
 426                         </li>
 427                         <li class="list-group-item task-item">
 428                <div class="col-md-12">
 429                <button id="toggleAllatom">Input structure on/off</button>
 430                <button id="toggleSidechains2">Side-chains on/off</button>
 431                </div>
 432                         </li>
 433                         {% endif %}
 434
 435                         <li class="list-group-item task-item">
 436                             <div class="col-md-2"> Results </div>
 437                             <div class="col-md-10">{{ task.results_text|linebreaks }}</div>
 438                         </li>
 439
 440                         {% if task.type == "md" %}
 441
 442                         <li class="list-group-item task-item">
 443                           <div class="col-md-2"> Temperature histogram </div>
 444                           <div class="col-md-10"> <img
 445                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
 446                           width="500"> </div>
 447                         </li>
 448
 449                         <li class="list-group-item task-item">
 450                           <div class="col-md-2"> Potential energy </div>
 451                           <div class="col-md-10"> <img
 452                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
 453                           width="500"> </div>
 454                         </li>
 455
 456                             <li class="list-group-item task-item">
 457                             <div class="col-md-2"> Movie </div>
 458                             <div class="col-md-10">
 459
 460                             <video width="500" height="400"
 461                             preload="auto" controls="controls">
 462                             <source
 463                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
 464                             type="video/ogg; codecs=theora"> </source>
 465                             </video>
 466
 467                             </div>
 468                             </li>
 469
 470 {% if task.md_mdpdb %}
 471                         <li class="list-group-item task-item">
 472                           <div class="col-md-2"> Trajectory NGL viewer</div>
 473                           <div class="col-md-10" id="viewport_traj"
 474                           style="width:500px;height:500px;">
 475                           </div>
 476                         </li>
 477                         <li class="list-group-item task-item">
 478                <div class="col-md-6">
 479 <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
 480 </div>
 481 <div class="col-md-6">
 482 <button id="toggleRunMDs">run/pause MD</button>
 483 <button id="toggleSidechains1">side-chains on/off</button>
 484 </div>
 485                         </li>
 486
 487 {% endif %}
 488
 489                         <li class="list-group-item task-item">
 490                           <div class="col-md-2"> Radius of gyration based
 491                           on C<sup>α</sup> coordinates </div>
 492                           <div class="col-md-10"> <img
 493                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
 494                           width="500"> </div>
 495                         </li>
 496
 497
 498
 499                            {% if task.md_pdbref %}
 500                         <li class="list-group-item task-item">
 501                           <div class="col-md-2"> C<sup>&alpha;</sup> RMSD </div>
 502                           <div class="col-md-10"> <img
 503                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
 504                           width="500"> </div>
 505                         </li>
 506
 507                         <li class="list-group-item task-item">
 508                           <div class="col-md-2"> fraction of native
 509                           side-chain concacts </div>
 510                           <div class="col-md-10"> <img
 511                           src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
 512                           width="500"> </div>
 513                         </li>
 514
 515                            {% endif %}
 516
 517                            {% if task.md_start == "pdbstart" %}
 518                         <li class="list-group-item task-item">
 519                           <div class="col-md-2"> fluctuations </div>
 520                           <div class="col-md-10"> <img
 521                           src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
 522                           width="500"> </div>
 523                         </li>
 524 <!--
 525                         <li class="list-group-item task-item">
 526                           <div class="col-md-2"> fluctuations putty on
 527                           starting structure</div>
 528                           <div class="col-md-10">
 529                           <a
 530                           href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
 531                           <img
 532                           src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
 533                           width="500"></a> </div>
 534                         </li>
 535 -->
 536                         <li class="list-group-item task-item">
 537                           <div class="col-md-2"> fluctuations putty on
 538                           starting structure NGL viewer</div>
 539                           <div class="col-md-10" id="viewport_putty"
 540                           style="width:500px;height:500px;">
 541                           </div>
 542                         </li>
 543
 544
 545                            {% endif %}
 546
 547
 548
 549                         {% endif %}
 550
 551                         {% if task.type == "remd" or task.type == "dock" %}
 552
 553                         <li class="list-group-item task-item">
 554                           <div class="col-md-2"> Energy histogram </div>
 555                           <div class="col-md-10"> <img
 556                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
 557                           width="500"> </div>
 558                         </li>
 559
 560                         <li class="list-group-item task-item">
 561                           <div class="col-md-2"> Energy vs. temperature </div>
 562                           <div class="col-md-10"> <img
 563                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
 564                           width="500"> </div>
 565                         </li>
 566
 567                         <li class="list-group-item task-item">
 568                           <div class="col-md-2"> Cv vs. temperature </div>
 569                           <div class="col-md-10"> <img
 570                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
 571                           width="500"> </div>
 572                         </li>
 573
 574                            {% if task.md_pdbref %}
 575
 576                         <li class="list-group-item task-item">
 577                           <div class="col-md-2"> Average C<sup>&alpha;</sup> RMSD vs. temperature </div>
 578                           <div class="col-md-10"> <img
 579                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
 580                           width="500"> </div>
 581                         </li>
 582
 583                         <li class="list-group-item task-item">
 584                           <div class="col-md-2"> potential energy vs.
 585                           C<sup>&alpha;</sup> RMSD</div>
 586                           <div class="col-md-10"> <img
 587                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
 588                           width="500"> </div>
 589                         </li>
 590
 591                         <li class="list-group-item task-item">
 592                           <div class="col-md-2"> C<sup>&alpha;</sup> RMSD vs. step*replica
 593                           colored by bath temperature</div>
 594                           <div class="col-md-10"> <img
 595                           src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
 596                           width="500"> </div>
 597                         </li>
 598
 599
 600                            {% endif %}
 601
 602                         <li class="list-group-item task-item">
 603                           <div class="col-md-2"> exchanges (walk in T) </div>
 604                           <div class="col-md-10"> <img
 605                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
 606                           width="500"> </div>
 607                         </li>
 608
 609                            {% if task.saxs_data != "" %}
 610                         <li class="list-group-item task-item">
 611                           <div class="col-md-2"> P(r) of input SAXS data and
 612                           calculated for 5 models and the input pdb</div>
 613                           <div class="col-md-10"> <img
 614                           src="/myfiles/download-file/{{task.jobdirname}}/saxs.png"
 615                           width="500"> </div>
 616                         </li>
 617                            {% endif %}
 618
 619         <li class="list-group-item task-item">
 620         <div class="col-md-4">
 621         <button onclick="plusDivs(-1)">&#10094;</button>
 622         </div>
 623         <div class="col-md-6">
 624         select model
 625         </div>
 626         <div class="col-md-2">
 627         <button onclick="plusDivs(1)">&#10095;</button>
 628         </div>
 629         </li>
 630
 631                         <div class="model">
 632 <!--                    <li class="list-group-item task-item">
 633                           <div class="col-md-2"> model1 after conversion
 634                           to allatom
 635                           {{ task.remd_model1|linebreaks }}
 636                           </div>
 637                           <div class="col-md-10">
 638                           <a
 639                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
 640                           <img
 641                           src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
 642                           </a></div>
 643                         </li> -->
 644                         <li class="list-group-item task-item">
 645                           <div class="col-md-2"> model1
 646                           {% if not task.damino %}
 647                           after conversion to allatom
 648                           {% endif %}
 649                           {{ task.remd_model1|linebreaks }}
 650                           NGL viewer</div>
 651                           <div class="col-md-10" id="viewport_M1"
 652                           style="width:500px;height:500px;">
 653                           </div>
 654                         </li>
 655                         <li class="list-group-item task-item">
 656                <div class="col-md-12">
 657                {% if task.md_pdbref %}
 658                <button id="toggleRefM1">Reference structure on/off</button>
 659                {% endif %}
 660                <button id="toggleSidechainsM1">Side-chains on/off</button>
 661                <a class="btn btn-default"
 662                href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">Download</a>
 663                </div>
 664                         </li>
 665
 666                         </div>
 667                         <div class="model">
 668 <!--                    <li class="list-group-item task-item">
 669                           <div class="col-md-2"> model2 after conversion
 670                           to allatom
 671                           {{ task.remd_model2|linebreaks }}
 672                           </div>
 673                           <div class="col-md-10">
 674                           <a
 675                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
 676                           <img
 677                           src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
 678                           </a></div>
 679                         </li> -->
 680                         <li class="list-group-item task-item">
 681                           <div class="col-md-2"> model2
 682                           {% if not task.damino %}
 683                           after conversion to allatom
 684                           {% endif %}
 685                           {{ task.remd_model2|linebreaks }}
 686                           NGL viewer</div>
 687                           <div class="col-md-10" id="viewport_M2"
 688                           style="width:500px;height:500px;">
 689                           </div>
 690                         </li>
 691                         <li class="list-group-item task-item">
 692                <div class="col-md-12">
 693                {% if task.md_pdbref %}
 694                <button id="toggleRefM2">Reference structure on/off</button>
 695                {% endif %}
 696                <button id="toggleSidechainsM2">Side-chains on/off</button>
 697                <a class="btn btn-default"
 698                href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">Download</a>
 699                </div>
 700                         </li>
 701
 702
 703                         </div>
 704                         <div class="model">
 705 <!--                    <li class="list-group-item task-item">
 706                           <div class="col-md-2"> model3 after conversion
 707                           to allatom
 708                           {{ task.remd_model3|linebreaks }}
 709                           </div>
 710                           <div class="col-md-10">
 711                           <a
 712                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
 713                           <img
 714                           src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
 715                           </a></div>
 716                         </li>-->
 717                         <li class="list-group-item task-item">
 718                           <div class="col-md-2"> model3
 719                           {% if not task.damino %}
 720                           after conversion to allatom
 721                           {% endif %}
 722                           {{ task.remd_model3|linebreaks }}
 723                           NGL viewer</div>
 724                           <div class="col-md-10" id="viewport_M3"
 725                           style="width:500px;height:500px;">
 726                           </div>
 727                         </li>
 728                         <li class="list-group-item task-item">
 729                <div class="col-md-12">
 730                {% if task.md_pdbref %}
 731                <button id="toggleRefM3">Reference structure on/off</button>
 732                {% endif %}
 733                <button id="toggleSidechainsM3">Side-chains on/off</button>
 734                <a class="btn btn-default"
 735                href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">Download</a>
 736                </div>
 737                         </li>
 738
 739                         </div>
 740                         <div class="model">
 741 <!--                    <li class="list-group-item task-item">
 742                           <div class="col-md-2"> model4 after conversion
 743                           to allatom
 744                           {{ task.remd_model4|linebreaks }}
 745                           </div>
 746                           <div class="col-md-10">
 747                           <a
 748                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
 749                           <img
 750                           src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
 751                           </a></div>
 752                         </li>-->
 753                         <li class="list-group-item task-item">
 754                           <div class="col-md-2"> model4
 755                           {% if not task.damino %}
 756                           after conversion to allatom
 757                           {% endif %}
 758                           {{ task.remd_model4|linebreaks }}
 759                           NGL viewer</div>
 760                           <div class="col-md-10" id="viewport_M4"
 761                           style="width:500px;height:500px;">
 762                           </div>
 763                         </li>
 764                         <li class="list-group-item task-item">
 765                <div class="col-md-12">
 766                {% if task.md_pdbref %}
 767                <button id="toggleRefM4">Reference structure on/off</button>
 768                {% endif %}
 769                <button id="toggleSidechainsM4">Side-chains on/off</button>
 770                <a class="btn btn-default"
 771                href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">Download</a>
 772                </div>
 773                         </li>
 774
 775                         </div>
 776                         <div class="model">
 777 <!--                    <li class="list-group-item task-item">
 778                           <div class="col-md-2"> model5 after conversion
 779                           to allatom
 780                           {{ task.remd_model5|linebreaks }}
 781                           </div>
 782                           <div class="col-md-10">
 783                           <a
 784                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
 785                           <img
 786                           src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">
 787                           </a></div>
 788                         </li>-->
 789                         <li class="list-group-item task-item">
 790                           <div class="col-md-2"> model5
 791                           {% if not task.damino %}
 792                           after conversion to allatom
 793                           {% endif %}
 794                           {{ task.remd_model5|linebreaks }}
 795                           NGL viewer</div>
 796                           <div class="col-md-10" id="viewport_M5"
 797                           style="width:500px;height:500px;">
 798                           </div>
 799                         </li>
 800                         <li class="list-group-item task-item">
 801                <div class="col-md-12">
 802                {% if task.md_pdbref %}
 803                <button id="toggleRefM5">Reference structure on/off</button>
 804                {% endif %}
 805                <button id="toggleSidechainsM5">Side-chains on/off</button>
 806                <a class="btn btn-default"
 807                href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">Download</a>
 808                </div>
 809                         </li>
 810
 811                         </div>
 812                         {% endif %}
 813
 814         {% endif %}
 815
 816         </ul>
 817 {% else %}
 818 <h2>
 819 Regular user cannot use this link.
 820 </h2>
 821 {% endif %}
 822
 823 <script src="/static/jquery.min.js"></script>
 824 <script src="https://unpkg.com/ngl"></script>
 825
 826 <script>
 827 $('.majorpointslegend').click(function(){
 828     $(this.parentNode).find('.hiders').toggle();
 829     if($(this.parentNode).find('.majorpointslegend').text()=='Show input parameters'){
 830         $(this.parentNode).find('.majorpointslegend').text('Hide input parameters');
 831     }else{
 832         $(this.parentNode).find('.majorpointslegend').text('Show input parameters');
 833     }
 834 });
 835 </script>
 836
 837 {% if task.type == "remd" or task.type == "dock" %}
 838 <script>
 839 function display_model(numstr){
 840
 841 {% if task.md_pdbref %}
 842   var stage = new NGL.Stage("viewport_M"+numstr);
 843   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 844   Promise.all([
 845       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/plik1.pdb" ,{defaultRepresentation: false}) .then( function( o ){
 846         o.addRepresentation( "cartoon",{ name:"ref", color:"grey"
 847         })
 848         o.addRepresentation( "line", {name:"refsc",visible: false,
 849          sele:"not hydrogen and sidechainAttached"
 850         })
 851         return o
 852       }),
 853       stage.loadFile(
 854       "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 855  {% if task.damino %}
 856         o.addRepresentation( "licorice",{ name: "unres", color:
 857                "residueindex",colorScale:["blue","cyan", "green",
 858                "yellow","orange", "red"], sele:".CA"
 859                        })
 860         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 861        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 862         , sele:"*" })
 863  {% else %}
 864         o.addRepresentation( "cartoon",{ name: "unres", color:
 865                "residueindex",colorScale:["blue","cyan", "green",
 866                "yellow","orange", "red"]
 867                        })
 868         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 869        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 870         , sele:"not hydrogen and sidechainAttached" })
 871  {% endif %}
 872         return o
 873       })
 874   ]).then(function (ol1) {
 875    ol1[ 1 ].superpose(ol1[ 0 ], false, ".CA")
 876    ol1[ 0 ].autoView()
 877   })
 878             var ref=true;
 879             var side=false;
 880             var toggleAll = document.getElementById( "toggleRefM"+numstr );
 881             toggleAll.addEventListener( "click", function(){
 882                         ref=! ref;
 883                         stage.getRepresentationsByName(
 884                                 "ref" ).list.forEach( function( repre ){
 885                                 repre.setVisibility( !repre.visible );
 886                         } );
 887                 if (side) {
 888                         stage.getRepresentationsByName(
 889                                 "refsc" ).list.forEach( function( repre ){
 890                                 repre.setVisibility( !repre.visible );
 891                         } );
 892                 }
 893
 894             } );
 895      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 896      toggleSidechains.addEventListener( "click", function(){
 897              side=!side;
 898              if (ref) {
 899                  stage.getRepresentationsByName(
 900                         "refsc" ).list.forEach( function( repre ){
 901                         repre.setVisibility( !repre.visible );
 902              } );
 903       }
 904       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 905                         repre.setVisibility( !repre.visible );
 906         } );
 907
 908       } );
 909 {% else %}
 910   var stage = new NGL.Stage("viewport_M"+numstr);
 911   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 912   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 913  {% if task.damino %}
 914         o.addRepresentation( "licorice",{ name: "unres", color:
 915                "residueindex",colorScale:["blue","cyan", "green",
 916                "yellow","orange", "red"],sele:".CA"
 917                        });
 918         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 919        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 920         , sele:"*" });
 921  {% else %}
 922         o.addRepresentation( "cartoon",{ name: "unres", color:
 923                "residueindex",colorScale:["blue","cyan", "green",
 924                "yellow","orange", "red"]
 925                        });
 926         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 927        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 928         , sele:"not hydrogen and sidechainAttached" });
 929  {% endif %}
 930         o.autoView();
 931   })
 932      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 933      toggleSidechains.addEventListener( "click", function(){
 934       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 935                         repre.setVisibility( !repre.visible );
 936         } );
 937
 938       } );
 939
 940 {% endif %}
 941 }
 942
 943
 944 window.addEventListener("resize",
 945 function (event) {
 946       stage.handleResize();
 947 },false);
 948
 949
 950 display_model("1")
 951
 952
 953 var slideIndex = 1;
 954 var y = document.getElementsByClassName("model");
 955 var lista=[];
 956 var ii;
 957 for (ii = 0; ii < y.length; ii++) {
 958  lista.push(0)
 959 }
 960 lista[0]=1;
 961 showDivs(slideIndex);
 962
 963 function plusDivs(n) {
 964   showDivs(slideIndex += n);
 965 }
 966
 967 function showDivs(n) {
 968   var i;
 969   var x = document.getElementsByClassName("model");
 970   if (n > x.length) {slideIndex = 1}
 971   if (n < 1) {slideIndex = x.length}
 972   for (i = 0; i < x.length; i++) {
 973      x[i].style.display = "none";
 974   }
 975   x[slideIndex-1].style.display = "block";
 976
 977   if (lista[slideIndex-1] == 0 && slideIndex == 2) {
 978     display_model("2")
 979   }
 980
 981   if (lista[slideIndex-1] == 0 && slideIndex == 3) {
 982      display_model("3")
 983   }
 984
 985   if (lista[slideIndex-1] == 0 && slideIndex == 4) {
 986      display_model("4")
 987   }
 988
 989   if (lista[slideIndex-1] == 0 && slideIndex == 5) {
 990      display_model("5")
 991   }
 992
 993
 994   if (lista[slideIndex-1] == 0) {lista[slideIndex-1]=1}
 995 }
 996 </script>
 997 {% endif %}
 998
 999 {% if not task.done %}
1000 <script>
1001 function worker() {
1002   $.ajax({
1003     data:{csrfmiddlewaretoken: '{{ csrf_token }}'},
1004     url: "/refresh_done1/{{task.id}}/",
1005     type:"post",
1006     success: function(data) {
1007       document.location.reload();
1008     },
1009     complete: function() {
1010       // Schedule the next request when the current one's complete
1011       setTimeout(worker, 30000);
1012     }
1013   });
1014 };
1015 $(document).ready(function() {
1016   // run the first time; all subsequent calls will take care of themselves
1017   setTimeout(worker, 30000);
1018 });
1019 </script>
1020 {% endif %}
1021
1022
1023 {% if task.type == "min" %}
1024 <script>
1025 window.addEventListener("resize",
1026      function (event) {
1027      stage.handleResize();
1028      },false);
1029
1030 var stage_unres = new NGL.Stage("viewport_unres");
1031 stage_unres.setParameters( { backgroundColor: "white" } );
1032 /**
1033 [color_Red, color_Green, color_Blue, ellipsoid_width, ellipsoid_length ]
1034 */
1035 var resdb = {   'CYS': [1.000, 1.000, 0.000, 1.33741, 2.96868],
1036                 'MET': [0.000, 1.000, 0.000, 1.36694, 3.08863],
1037                 'PHE': [0.000, 0.392, 0.000, 1.48323, 3.04238],
1038                 'ILE': [0.000, 1.000, 0.000, 1.44098, 3.17389],
1039                 'LEU': [0.000, 1.000, 0.000, 1.51054, 2.52078],
1040                 'VAL': [0.000, 1.000, 0.000, 1.42072, 2.68924],
1041                 'TRP': [0.000, 0.392, 0.000, 1.23867, 3.47403],
1042                 'TYR': [0.596, 0.984, 0.596, 1.23060, 3.35434],
1043                 'ALA': [0.000, 1.000, 0.000, 1.23266, 1.72686],
1044                 'GLY': [1.000, 1.000, 1.000, 1.24626, 1.11383],
1045                 'THR': [1.000, 0.000, 1.000, 1.28674, 2.59210],
1046                 'SER': [1.000, 0.000, 1.000, 1.22820, 1.68800],
1047                 'GLN': [1.000, 0.000, 1.000, 1.24239, 2.22201],
1048                 'ASN': [1.000, 0.000, 1.000, 1.24447, 2.24946],
1049                 'GLU': [1.000, 0.000, 0.000, 1.25448, 2.05551],
1050                 'ASP': [1.000, 0.000, 0.000, 1.25417, 1.77556],
1051                 'HIS': [1.000, 0.000, 1.000, 1.21103, 3.02627],
1052                 'ARG': [0.000, 0.000, 1.000, 1.13573, 3.25143],
1053                 'LYS': [0.000, 0.000, 1.000, 1.22604, 4.50054],
1054                 'PRO': [0.000, 1.000, 1.000, 1.35131, 2.20525]
1055                         };
1056 stage_unres.loadFile("/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb", {defaultRepresentation: false}).then
1057        (function ( o ){
1058        var shape = new NGL.Shape("shape")
1059        var chain = ""
1060        o.addRepresentation("licorice");
1061        o.structure.eachAtom(function(atom){
1062          if (atom.atomname == "CA" && atom.chainname == chain) {
1063           px=CAx+(atom.x-CAx)/2;
1064           py=CAy+(atom.y-CAy)/2;
1065           pz=CAz+(atom.z-CAz)/2;
1066           shape.addSphere([px,py,pz],[0.643, 0.933, 0.960],0.6,"p");
1067          }
1068          if (atom.atomname == "CA") {
1069          chain= atom.chainname
1070          CAx= atom.x;
1071          CAy= atom.y
1072          CAz= atom.z
1073          }
1074          if (atom.atomname == "CB") {
1075           mx = (atom.x-CAx);
1076           my = (atom.y-CAy);
1077           mz = (atom.z-CAz);
1078           norm=Math.sqrt(mx*mx+my*my+mz*mz);
1079           res=atom.resname;
1080           var longaxis=resdb[res][4]
1081           var shortaxis=resdb[res][3]
1082           mx = mx /norm*longaxis;
1083           my = my /norm*longaxis;
1084           mz = mz /norm*longaxis;
1085           resn=res+atom.resno
1086           shape.addEllipsoid([ atom.x, atom.y, atom.z ],
1087               [ resdb[res][0], resdb[res][1], resdb[res][2]],
1088               shortaxis, [ mx, my, mz ], [ 0, shortaxis, 0 ],resn);
1089          }
1090        });
1091        var shapeComp = stage_unres.addComponentFromObject(shape)
1092        shapeComp.addRepresentation("buffer")
1093        o.autoView();
1094 });
1095
1096
1097
1098 var stage = new NGL.Stage("viewport_min");
1099 stage.setParameters( { backgroundColor: "white" } );
1100 Promise.all([
1101   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb" ,{defaultRepresentation: false}) .then( function( o ){
1102      o.addRepresentation( "backbone",{ color:
1103        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1104      })
1105      o.addRepresentation( "licorice",{ color:
1106        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange","red"]
1107      })
1108      return o
1109   }),
1110
1111   stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik.pdb",{defaultRepresentation: false}) .then( function( o ){
1112      o.addRepresentation( "backbone",{ name: "allatom", color:
1113        "residueindex",colorScale:["blue","cyan", "green","yellow","orange", "red"]
1114      })
1115      o.addRepresentation( "line",{ name: "allatomsc", color:
1116        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1117        ,sele:"not hydrogen and sidechainAttached"
1118      })
1119      return o
1120   })
1121 ]).then(function (ol) {
1122    ol[ 0 ].superpose(ol[ 1 ], false, ".CA")
1123    ol[ 0 ].autoView()
1124 })
1125
1126 var allatom=true;
1127 var side=true;
1128 var toggleAll = document.getElementById( "toggleAllatom" );
1129 toggleAll.addEventListener( "click", function(){
1130                         allatom=! allatom;
1131                         stage.getRepresentationsByName(
1132                                 "allatom" ).list.forEach( function( repre ){
1133                                 repre.setVisibility( !repre.visible );
1134                         } );
1135             if (side) {
1136                         stage.getRepresentationsByName(
1137                                 "allatomsc" ).list.forEach( function( repre ){
1138                                 repre.setVisibility( !repre.visible );
1139                         } );
1140             }
1141 } );
1142 var toggleSidechains = document.getElementById("toggleSidechains2" );
1143 toggleSidechains.addEventListener( "click", function(){
1144           side=!side;
1145           if (allatom) {
1146                 stage.getRepresentationsByName(
1147                         "allatomsc" ).list.forEach( function( repre ){
1148                                 repre.setVisibility( !repre.visible );
1149                 } );
1150
1151           }
1152           stage.getRepresentationsByName("licorice").list.forEach( function( repre ){
1153                 repre.setVisibility( !repre.visible );
1154           } );
1155
1156 } );
1157 </script>
1158 {% endif %}
1159
1160 {% if task.type == "md" and task.md_start == "pdbstart" %}
1161 <script>
1162 window.addEventListener("resize",
1163      function (event) {
1164      stage.handleResize();
1165      },false);
1166
1167 var stage = new NGL.Stage("viewport_putty");
1168 stage.setParameters( { backgroundColor: "white" } );
1169
1170 var tooltip = document.createElement("div")
1171 Object.assign(tooltip.style, {
1172   display: "none",
1173   position: "fixed",
1174   zIndex: 10,
1175   pointerEvents: "none",
1176   backgroundColor: "rgba( 0, 0, 0, 0.6 )",
1177   color: "lightgrey",
1178   padding: "8px",
1179   fontFamily: "sans-serif"
1180 })
1181 document.body.appendChild(tooltip)
1182
1183 stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik_bf.pdb", {defaultRepresentation: false}).then
1184        (function ( o ){
1185        o.addRepresentation("tube",{ color: "bfactor" , scale: 0.25,
1186        sele: "backbone",
1187        radius:"bfactor",
1188        colorScale:["blue","cyan", "green", "yellow","orange", "red"] });
1189        o.addRepresentation("licorice",{sele:"sidechainAttached and CYS and not hydrogen"});
1190        o.autoView();
1191 })
1192
1193 // remove default hoverPick mouse action
1194 stage.mouseControls.remove("hoverPick")
1195
1196 stage.signals.hovered.add(function (pickingProxy) {
1197   if (pickingProxy && (pickingProxy.atom || pickingProxy.bond)) {
1198     var atom = pickingProxy.atom || pickingProxy.closestBondAtom
1199     var mp = pickingProxy.mouse.position
1200     var bf= atom.bfactor.toFixed(2)
1201     tooltip.innerText = atom.qualifiedName()+" Fluctuation="+ bf
1202     tooltip.style.bottom = window.innerHeight - mp.y + 3 + "px"
1203     tooltip.style.left = mp.x + 3 + "px"
1204     tooltip.style.display = "block"
1205   } else {
1206     tooltip.style.display = "none"
1207   }
1208 })
1209 </script>
1210 {% endif %}
1211
1212 {% if task.type == "md" and task.md_mdpdb %}
1213 <script>
1214 window.addEventListener("resize",
1215      function (event) {
1216      stage.handleResize();
1217      },false);
1218
1219       var stage = new NGL.Stage("viewport_traj");
1220       stage.setParameters( { backgroundColor: "white" } );
1221       stage.setParameters( { cameraType: "orthographic" } );
1222       var traj;
1223       var player;
1224       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_MD000.pdb", {
1225        asTrajectory: true } ) .then( function( o ){
1226         o.setName ("unres_md");
1227         o.addRepresentation( "backbone",{ color:
1228        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1229         });
1230         o.addRepresentation( "licorice",{ color:
1231        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1232         });
1233         o.setPosition([0, 0, 100]);
1234         o.autoView();
1235         o.addTrajectory();
1236       });
1237
1238             var toggleSidechains = document.getElementById( "toggleSidechains1" );
1239             toggleSidechains.addEventListener( "click", function(){
1240                                                         stage.getRepresentationsByName( "licorice" ).list.forEach( function( repre ){
1241                                                                         repre.setVisibility( !repre.visible );
1242                                                         } );
1243             } );
1244
1245
1246       function numberWithCommas(x) {
1247                 return x.toString().replace(/\B(?=(\d{3})+(?!\d))/g, ",");
1248       }
1249       var toggleRunMDs = document.getElementById( "toggleRunMDs" );
1250       var isRunning = false;
1251       toggleRunMDs.addEventListener( "click", function(){
1252          var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1253          var player = new NGL.TrajectoryPlayer(trajComp.trajectory, {timeout: 10, mode: "once"});
1254                                 if( !isRunning ){
1255                                         player.play();
1256                                         isRunning = true;
1257
1258                     trajComp.signals.frameChanged.add(function(){
1259                       var fnum=trajComp.trajectory.currentFrame+1;
1260                       clipRange.value = fnum;
1261                       clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
1262                     });
1263
1264                                 }else{
1265                                         player.play();
1266                                         player.pause();
1267                                         isRunning = false;
1268                                 }
1269       } );
1270       var clipRange = document.getElementById( "clipRange" );
1271       var clipRange_val = document.getElementById( "clipRange_val" );
1272       clipRange.oninput = function( e ){
1273                 var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1274                 trajComp.setFrame(e.target.value-1)
1275                 clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
1276       };
1277
1278 </script>
1279 {% endif %}
1280
1281
1282 {% endblock %}