django_simple/todo/templates/details1.html

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