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