django_simple/todo/templates/details.html

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