django_simple/todo/templates/details1.html

   1 {% extends "base.html" %}
   2
   3 {% load index %}
   4 {% load i18n lazysignup_tags %}
   5 {% block content %}
   6
   7 {% if task.owner|is_lazy_user %}
   8
   9 <ul class="list-group">
  10
  11 <li class="list-group-item new-task-item task-item">
  12
  13 <div class="col-md-2 form-group">
  14 <form action="/refresh_done1/{{task.id}}/" method="post">
  15 {% csrf_token %}
  16 <input type="submit" class="btn" value="Refresh" name="refreshbtn">
  17 </form>
  18 </div>
  19
  20 <div class="col-md-10 form-group">
  21 <h5 style="text-align:right;float:right;">
  22 {% if not task.done %}
  23  {% if task.running > 0  %}
  24   {% if task.running == 100  %}
  25   postprocessing
  26   {% else %}
  27   running
  28   {% endif %}
  29  {% else %}
  30   waiting in the queue to start
  31  {% endif %}
  32 {% endif %}
  33 </h5>
  34 </div>
  35 </li>
  36 </ul>
  37
  38 <h3> Task <b>{{ task.name }}</b></h3>
  39 Created {{ task.created_date  }}
  40         <ul class="list-group">
  41
  42                         <li class="list-group-item task-item">
  43                                 <div class="col-md-4"> done ?</div>
  44                                 <div class="col-md-8">
  45                                         {% if task.done %}
  46                                                 <span class="fa fa-check-square-o"></span>
  47                                             {% if task.type == "md" or task.type == "remd" or task.type == "dock" %}
  48                                               <form action="restart/"
  49                                                 method="get"
  50                                                 style="text-align;float:right;">
  51                                                 {% csrf_token %}
  52                                                  <input type="submit"
  53                                                  class="btn btn-default"
  54                                                  value="Restart"
  55                                                  name="restartbtn">
  56                                                  </button>
  57                                               </form>
  58                                             {% endif %}
  59                                         {% else %}
  60                                           {% if task.running > 0  %}
  61                                                 <span class="fa fa-spinner
  62                                                 fa-spin"></span>
  63                                                 {{ task.running }}%
  64                                           {% else %}
  65                                                 <span class="fa fa-square-o"></span>
  66                                           {% endif %}
  67                                         {% endif %}
  68
  69                                 </div>
  70                         </li>
  71 <div>
  72     <fieldset class="majorpoints">
  73     <legend class="majorpointslegend"
  74     style="background-color:#d3d3d3;cursor: pointer;">Show input parameters</legend>
  75     <div class="hiders" style="display:none" >
  76
  77                         <li class="list-group-item task-item">
  78                             <div class="col-md-6"> type </div>
  79                             <div class="col-md-6">{{ task.type }}</div>
  80                         </li>
  81
  82                         <li class="list-group-item task-item">
  83                             <div class="col-md-6"> force field </div>
  84                             <div class="col-md-6">{{ task.unres_ff }}</div>
  85                         </li>
  86
  87                         <li class="list-group-item task-item">
  88                             <div class="col-md-4"> sequence </div>
  89                             <div class="col-md-8 monospace">{{ task.md_seq}}</div>
  90                         </li>
  91
  92                         <li class="list-group-item task-item">
  93                             <div class="col-md-4"> secondary structure
  94                             restraints </div>
  95                             <div class="col-md-8 monospace">{{ task.md_2d}}</div>
  96                         </li>
  97
  98
  99                         <li class="list-group-item task-item">
 100                             <div class="col-md-6"> SSBOND </div>
 101                             <div class="col-md-6">{{ task.ssbond}}</div>
 102                         </li>
 103
 104
 105         {% if task.type == "min" %}
 106
 107
 108                         <li class="list-group-item task-item">
 109                             <div class="col-md-6"> algorithm</div>
 110                             <div class="col-md-6">{{ task.min_choice }}</div>
 111                         </li>
 112                         <li class="list-group-item task-item">
 113                             <div class="col-md-6"> overlap</div>
 114                             <div class="col-md-6">{{ task.min_overlap }}</div>
 115                         </li>
 116                         <li class="list-group-item task-item">
 117                             <div class="col-md-6"> searchsc</div>
 118                             <div class="col-md-6">{{ task.min_searchsc }}</div>
 119                         </li>
 120                         <li class="list-group-item task-item">
 121                             <div class="col-md-6"> maxmin</div>
 122                             <div class="col-md-6">{{ task.min_maxmin }}</div>
 123                         </li>
 124                         <li class="list-group-item task-item">
 125                             <div class="col-md-6"> maxfun</div>
 126                             <div class="col-md-6">{{ task.min_maxfun }}</div>
 127                         </li>
 128                         <li class="list-group-item task-item">
 129                             <div class="col-md-6"> pdbout</div>
 130                             <div class="col-md-6">{{ task.min_pdbout }}</div>
 131                         </li>
 132                         <li class="list-group-item task-item">
 133                             <div class="col-md-6"> input pdb </div>
 134                             <div class="col-md-6">{{ task.myfile1 }}</div>
 135                         </li>
 136                         <li class="list-group-item task-item">
 137                             <div class="col-md-6"> pdb code</div>
 138                             <div class="col-md-6">{{ task.pdbcode }}</div>
 139                         </li>
 140                         <li class="list-group-item task-item">
 141                             <div class="col-md-6"> unres_pdb</div>
 142                             <div class="col-md-6">{{ task.min_unres_pdb }}</div>
 143                         </li>
 144
 145         {% endif %}
 146         {% if task.type == "md" %}
 147                         <li class="list-group-item task-item">
 148                             <div class="col-md-6"> starting </div>
 149                             <div class="col-md-6">{{ task.md_start}}</div>
 150                         </li>
 151
 152 <!-- -->
 153                         <li class="list-group-item task-item">
 154                             <div class="col-md-6"> input pdb3 </div>
 155                             <div class="col-md-6">{{ task.myfile3 }}</div>
 156                         </li>
 157 <!-- -->
 158
 159                         <li class="list-group-item task-item">
 160                             <div class="col-md-6"> input pdb </div>
 161                             <div class="col-md-6">{{ task.myfile1 }}</div>
 162                         </li>
 163                         <li class="list-group-item task-item">
 164                             <div class="col-md-6"> pdb code</div>
 165                             <div class="col-md-6">{{ task.pdbcode }}</div>
 166                         </li>
 167                         <li class="list-group-item task-item">
 168                             <div class="col-md-6"> seed </div>
 169                             <div class="col-md-6">{{ task.md_seed}}</div>
 170                         </li>
 171                         <li class="list-group-item task-item">
 172                             <div class="col-md-6"> pdbref </div>
 173                             <div class="col-md-6">{{ task.md_pdbref}}</div>
 174                         </li>
 175                         <li class="list-group-item task-item">
 176                             <div class="col-md-6"> respa </div>
 177                             <div class="col-md-6">{{ task.md_respa}}</div>
 178                         </li>
 179                         <li class="list-group-item task-item">
 180                             <div class="col-md-6"> temperature </div>
 181                             <div class="col-md-6">{{ task.md_temp}}</div>
 182                         </li>
 183                         <li class="list-group-item task-item">
 184                             <div class="col-md-6"> nstep </div>
 185                             <div class="col-md-6">{{ task.md_nstep}}</div>
 186                         </li>
 187                         <li class="list-group-item task-item">
 188                             <div class="col-md-6"> total steps (with restarts) </div>
 189                             <div class="col-md-6">{{ task.md_total_steps}}</div>
 190                         </li>
 191                         <li class="list-group-item task-item">
 192                             <div class="col-md-6"> ntwe </div>
 193                             <div class="col-md-6">{{ task.md_ntwe}}</div>
 194                         </li>
 195                         <li class="list-group-item task-item">
 196                             <div class="col-md-6"> ntwx </div>
 197                             <div class="col-md-6">{{ task.md_ntwx}}</div>
 198                         </li>
 199                         <li class="list-group-item task-item">
 200                             <div class="col-md-6"> dt </div>
 201                             <div class="col-md-6">{{ task.md_dt}}</div>
 202                         </li>
 203                         <li class="list-group-item task-item">
 204                             <div class="col-md-6"> thermostat </div>
 205                             <div class="col-md-6">{{ task.md_lang}}</div>
 206                         </li>
 207
 208                         {% if task.md_lang == "berendsen" %}
 209
 210                         <li class="list-group-item task-item">
 211                             <div class="col-md-6"> tau </div>
 212                             <div class="col-md-6">{{ task.md_tau}}</div>
 213                         </li>
 214
 215                         {% else %}
 216
 217                         <li class="list-group-item task-item">
 218                             <div class="col-md-6"> scal_fric </div>
 219                             <div class="col-md-6">{{ task.md_scal_fric}}</div>
 220                         </li>
 221
 222                         {% endif %}
 223
 224                         <li class="list-group-item task-item">
 225                             <div class="col-md-6"> mdpdb </div>
 226                             <div class="col-md-6">{{ task.md_mdpdb}}</div>
 227                         </li>
 228                         <li class="list-group-item task-item">
 229                             <div class="col-md-6"> RESPA </div>
 230                             <div class="col-md-6">{{ task.md_respa}}</div>
 231                         </li>
 232
 233
 234         {% endif %}
 235
 236         {% if task.type == "remd" or task.type == "dock" %}
 237
 238                         <li class="list-group-item task-item">
 239                             <div class="col-md-6"> nrep </div>
 240                             <div class="col-md-6">{{ task.remd_nrep}}</div>
 241                         </li>
 242                         <li class="list-group-item task-item">
 243                             <div class="col-md-6"> starting </div>
 244                             <div class="col-md-6">{{ task.md_start}}</div>
 245                         </li>
 246 <!-- -->
 247                         {% if task.type == "remd" %}
 248                         <li class="list-group-item task-item">
 249                             <div class="col-md-6"> input pdb3 </div>
 250                             <div class="col-md-6">{{ task.myfile3 }}</div>
 251                         </li>
 252 <!-- -->
 253
 254                         <li class="list-group-item task-item">
 255                             <div class="col-md-6"> input pdb </div>
 256                             <div class="col-md-6">{{ task.myfile1 }}</div>
 257                         </li>
 258                         <li class="list-group-item task-item">
 259                             <div class="col-md-6"> pdb code</div>
 260                             <div class="col-md-6">{{ task.pdbcode }}</div>
 261                         </li>
 262                         {% if task.type == "dock" %}
 263                         <li class="list-group-item task-item">
 264                             <div class="col-md-6"> input pdb2 </div>
 265                             <div class="col-md-6">{{ task.myfile2 }}</div>
 266                         </li>
 267                         <li class="list-group-item task-item">
 268                             <div class="col-md-6"> pdb code2</div>
 269                             <div class="col-md-6">{{ task.pdbcode2 }}</div>
 270                         </li>
 271                         <li class="list-group-item task-item">
 272                             <div class="col-md-6"> dock_peptide</div>
 273                             <div class="col-md-6">{{ task.dock_peptide }}</div>
 274                         </li>
 275
 276                         {% endif %}
 277                         <li class="list-group-item task-item">
 278                             <div class="col-md-6"> seed </div>
 279                             <div class="col-md-6">{{ task.md_seed}}</div>
 280                         </li>
 281                         <li class="list-group-item task-item">
 282                             <div class="col-md-6"> pdbref </div>
 283                             <div class="col-md-6">{{ task.md_pdbref}}</div>
 284                         </li>
 285                         {% if task.md_start == "pdbstart" %}
 286                         <li class="list-group-item task-item">
 287                             <div class="col-md-6"> preminim maxfun </div>
 288                             <div class="col-md-6">{{ task.min_maxfun }}</div>
 289                         </li>
 290                         {% endif %}
 291                         <li class="list-group-item task-item">
 292                             <div class="col-md-6"> respa </div>
 293                             <div class="col-md-6">{{ task.md_respa}}</div>
 294                         </li>
 295                         <li class="list-group-item task-item">
 296                             <div class="col-md-6"> nstep </div>
 297                             <div class="col-md-6">{{ task.md_nstep}}</div>
 298                         </li>
 299                         <li class="list-group-item task-item">
 300                             <div class="col-md-6"> total steps (with restarts) </div>
 301                             <div class="col-md-6">{{ task.md_total_steps}}</div>
 302                         </li>
 303                         <li class="list-group-item task-item">
 304                             <div class="col-md-6"> ntwe </div>
 305                             <div class="col-md-6">{{ task.md_ntwe}}</div>
 306                         </li>
 307                         <li class="list-group-item task-item">
 308                             <div class="col-md-6"> nstex </div>
 309                             <div class="col-md-6">{{ task.remd_nstex}}</div>
 310                         </li>
 311                         <li class="list-group-item task-item">
 312                             <div class="col-md-6"> ntwx </div>
 313                             <div class="col-md-6">{{ task.md_ntwx}}</div>
 314                         </li>
 315                         <li class="list-group-item task-item">
 316                             <div class="col-md-6"> dt </div>
 317                             <div class="col-md-6">{{ task.md_dt}}</div>
 318                         </li>
 319                         <li class="list-group-item task-item">
 320                             <div class="col-md-6"> thermostat </div>
 321                             <div class="col-md-6">{{ task.md_lang}}</div>
 322                         </li>
 323
 324                         {% if task.md_lang == "berendsen" %}
 325
 326                         <li class="list-group-item task-item">
 327                             <div class="col-md-6"> tau </div>
 328                             <div class="col-md-6">{{ task.md_tau}}</div>
 329                         </li>
 330
 331                         {% else %}
 332
 333                         <li class="list-group-item task-item">
 334                             <div class="col-md-6"> scal_fric </div>
 335                             <div class="col-md-6">{{ task.md_scal_fric}}</div>
 336                         </li>
 337
 338                         {% endif %}
 339
 340                         <li class="list-group-item task-item">
 341                             <div class="col-md-6"> RESPA </div>
 342                             <div class="col-md-6">{{ task.md_respa}}</div>
 343                         </li>
 344
 345                         <li class="list-group-item task-item">
 346                             <div class="col-md-6"> temperatures </div>
 347                             <div class="col-md-6">{{ task.remd_multi_t}}</div>
 348                         </li>
 349                         <li class="list-group-item task-item">
 350                             <div class="col-md-6"> multiplex </div>
 351                             <div class="col-md-6">{{ task.remd_multi_m}}</div>
 352                         </li>
 353                         <li class="list-group-item task-item">
 354                             <div class="col-md-6"> temperature for clustering</div>
 355                             <div class="col-md-6">{{ task.remd_cluter_temp}}</div>
 356                         </li>
 357                         <li class="list-group-item task-item">
 358                             <div class="col-md-6"> number of clusters</div>
 359                             <div class="col-md-6">{{ task.remd_cluster_n}}</div>
 360                         </li>
 361
 362                         {% if task.saxs_data != "" %}
 363                         <li class="list-group-item task-item">
 364                             <div class="col-md-6"> wsaxs </div>
 365                             <div class="col-md-6">{{ task.wsaxs }}</div>
 366                         </li>
 367                         <li class="list-group-item task-item">
 368                             <div class="col-md-6"> scal_rad (saxs) </div>
 369                             <div class="col-md-6">{{ task.scal_rad }}</div>
 370                         </li>
 371                         <li class="list-group-item task-item">
 372                             <div class="col-md-6"> saxs distribution </div>
 373                             <div class="col-md-6"><pre> {{ task.saxs_data }}</pre></div>
 374                         </li>
 375                         {% endif %}
 376
 377         {% endif %}
 378
 379                         <li class="list-group-item task-item">
 380                             <div class="col-md-6"> Box X Y Z</div>
 381                             <div class="col-md-2">{{ task.boxx}}</div>
 382                             <div class="col-md-2">{{ task.boxy}}</div>
 383                             <div class="col-md-2">{{ task.boxz}}</div>
 384                         </li>
 385
 386 </div>
 387 </div>
 388         <p>
 389         <h3> Results </h3>
 390                         <li class="list-group-item task-item">
 391                             <div class="col-md-4"> Directory </div>
 392                             <div class="col-md-8">
 393                             <a href="/myfiles/list/{{task.jobdirname}}/">
 394                             {{ task.jobdirname }}
 395                             </a>
 396                             {% if task.done %}
 397                             &nbsp;
 398                             <a class="btn btn-default"
 399                             href="/{{task.id}}/all.zip">
 400                             Download as zip</a>
 401                             {% endif %}
 402                             </div>
 403                         </li>
 404
 405
 406         {% if task.done %}
 407
 408                         {% if task.type == "min" %}
 409
 410                         <li class="list-group-item task-item">
 411                             <div class="col-md-2"> Etot </div>
 412                             <div class="col-md-10">{{ task.etot }}</div>
 413                         </li>
 414 <!--
 415                         <li class="list-group-item task-item">
 416                           <div class="col-md-2"> UNRES model </div>
 417                           <div class="col-md-10">
 418                           <a
 419                            href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
 420                           <img
 421                           src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
 422                           width="500"></a> </div>
 423                         </li>
 424 -->
 425                         <li class="list-group-item task-item">
 426                           <div class="col-md-2"> UNRES model NGL viewer</div>
 427                           <div class="col-md-10" id="viewport_unres"
 428                           style="width:500px;height:500px;">
 429                           </div>
 430                         </li>
 431
 432
 433 <!--
 434                         <li class="list-group-item task-item">
 435                           <div class="col-md-2"> Structure overlap </div>
 436                           <div class="col-md-10"> <img
 437                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
 438                           width="500"> </div>
 439                         </li>
 440 -->
 441                         <li class="list-group-item task-item">
 442                           <div class="col-md-2"> Structure overlap NGL viewer</div>
 443                           <div class="col-md-10" id="viewport_min"
 444                           style="width:500px;height:500px;">
 445                           </div>
 446                         </li>
 447                         <li class="list-group-item task-item">
 448                <div class="col-md-12">
 449                <button id="toggleAllatom">Input structure on/off</button>
 450                <button id="toggleSidechains2">Side-chains on/off</button>
 451                </div>
 452                         </li>
 453                         {% endif %}
 454
 455                         <li class="list-group-item task-item">
 456                             <div class="col-md-2"> Results </div>
 457                             <div class="col-md-10">{{ task.results_text|linebreaks }}</div>
 458                         </li>
 459
 460                         {% if task.type == "md" %}
 461
 462                         <li class="list-group-item task-item">
 463                           <div class="col-md-2"> Temperature histogram </div>
 464                           <div class="col-md-10"> <img
 465                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
 466                           width="500"> </div>
 467                         </li>
 468
 469                         <li class="list-group-item task-item">
 470                           <div class="col-md-2"> Potential energy </div>
 471                           <div class="col-md-10"> <img
 472                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
 473                           width="500"> </div>
 474                         </li>
 475
 476                             <li class="list-group-item task-item">
 477                             <div class="col-md-2"> Movie </div>
 478                             <div class="col-md-10">
 479
 480                             <video width="500" height="400"
 481                             preload="auto" controls="controls">
 482                             <source
 483                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
 484                             type="video/ogg; codecs=theora"> </source>
 485                             </video>
 486
 487                             </div>
 488                             </li>
 489
 490 {% if task.md_mdpdb %}
 491                         <li class="list-group-item task-item">
 492                           <div class="col-md-2"> Trajectory NGL viewer</div>
 493                           <div class="col-md-10" id="viewport_traj"
 494                           style="width:500px;height:500px;">
 495                           </div>
 496                         </li>
 497                         <li class="list-group-item task-item">
 498                <div class="col-md-6">
 499 <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
 500 </div>
 501 <div class="col-md-6">
 502 <button id="toggleRunMDs">run/pause MD</button>
 503 <button id="toggleSidechains1">side-chains on/off</button>
 504 </div>
 505                         </li>
 506
 507 {% endif %}
 508
 509                         <li class="list-group-item task-item">
 510                           <div class="col-md-2"> Radius of gyration based
 511                           on C<sup>α</sup> coordinates </div>
 512                           <div class="col-md-10"> <img
 513                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
 514                           width="500"> </div>
 515                         </li>
 516
 517
 518
 519                            {% if task.md_pdbref %}
 520                         <li class="list-group-item task-item">
 521                           <div class="col-md-2"> C<sup>&alpha;</sup> RMSD </div>
 522                           <div class="col-md-10"> <img
 523                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
 524                           width="500"> </div>
 525                         </li>
 526
 527                         <li class="list-group-item task-item">
 528                           <div class="col-md-2"> fraction of native
 529                           side-chain concacts </div>
 530                           <div class="col-md-10"> <img
 531                           src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
 532                           width="500"> </div>
 533                         </li>
 534
 535                            {% endif %}
 536
 537                            {% if task.md_start == "pdbstart" %}
 538                         <li class="list-group-item task-item">
 539                           <div class="col-md-2"> fluctuations </div>
 540                           <div class="col-md-10"> <img
 541                           src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
 542                           width="500"> </div>
 543                         </li>
 544 <!--
 545                         <li class="list-group-item task-item">
 546                           <div class="col-md-2"> fluctuations putty on
 547                           starting structure</div>
 548                           <div class="col-md-10">
 549                           <a
 550                           href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
 551                           <img
 552                           src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
 553                           width="500"></a> </div>
 554                         </li>
 555 -->
 556                         <li class="list-group-item task-item">
 557                           <div class="col-md-2"> fluctuations putty on
 558                           starting structure NGL viewer</div>
 559                           <div class="col-md-10" id="viewport_putty"
 560                           style="width:500px;height:500px;">
 561                           </div>
 562                         </li>
 563
 564
 565                            {% endif %}
 566
 567
 568
 569                         {% endif %}
 570
 571                         {% if task.type == "remd" or task.type == "dock" %}
 572
 573                         <li class="list-group-item task-item">
 574                           <div class="col-md-2"> Energy histogram </div>
 575                           <div class="col-md-10"> <img
 576                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
 577                           width="500"> </div>
 578                         </li>
 579
 580                         <li class="list-group-item task-item">
 581                           <div class="col-md-2"> Energy vs. temperature </div>
 582                           <div class="col-md-10"> <img
 583                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
 584                           width="500"> </div>
 585                         </li>
 586
 587                         <li class="list-group-item task-item">
 588                           <div class="col-md-2"> Cv vs. temperature </div>
 589                           <div class="col-md-10"> <img
 590                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
 591                           width="500"> </div>
 592                         </li>
 593
 594                            {% if task.md_pdbref %}
 595
 596                         <li class="list-group-item task-item">
 597                           <div class="col-md-2"> Average C<sup>&alpha;</sup> RMSD vs. temperature </div>
 598                           <div class="col-md-10"> <img
 599                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
 600                           width="500"> </div>
 601                         </li>
 602
 603                         <li class="list-group-item task-item">
 604                           <div class="col-md-2"> potential energy vs.
 605                           C<sup>&alpha;</sup> RMSD</div>
 606                           <div class="col-md-10"> <img
 607                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
 608                           width="500"> </div>
 609                         </li>
 610
 611                         <li class="list-group-item task-item">
 612                           <div class="col-md-2"> C<sup>&alpha;</sup> RMSD vs. step*replica
 613                           colored by bath temperature</div>
 614                           <div class="col-md-10"> <img
 615                           src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
 616                           width="500"> </div>
 617                         </li>
 618
 619
 620                            {% endif %}
 621
 622                         <li class="list-group-item task-item">
 623                           <div class="col-md-2"> exchanges (walk in T) </div>
 624                           <div class="col-md-10"> <img
 625                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
 626                           width="500"> </div>
 627                         </li>
 628
 629                            {% if task.saxs_data != "" %}
 630                         <li class="list-group-item task-item">
 631                           <div class="col-md-2"> P(r) of input SAXS data and
 632                           calculated for 5 models and the input pdb</div>
 633                           <div class="col-md-10"> <img
 634                           src="/myfiles/download-file/{{task.jobdirname}}/saxs.png"
 635                           width="500"> </div>
 636                         </li>
 637                            {% endif %}
 638
 639         <li class="list-group-item task-item">
 640         <div class="col-md-4">
 641         <button onclick="plusDivs(-1)">&#10094;</button>
 642         </div>
 643         <div class="col-md-6">
 644         select model
 645         </div>
 646         <div class="col-md-2">
 647         <button onclick="plusDivs(1)">&#10095;</button>
 648         </div>
 649         </li>
 650
 651                 {% for iii in range %}
 652
 653                 {% with istr=forloop.counter|stringformat:"s" %}
 654                 {% with MODELi="MODEL"|add:istr|add:".pdb" %}
 655                 {% with viewporti="viewport_M"|add:istr %}
 656                 {% with toggleRefi="toggleRefM"|add:istr %}
 657                 {% with toggleSidechainsi="toggleSidechainsM"|add:istr %}
 658
 659                         <div class="model">
 660                         <li class="list-group-item task-item">
 661                           <div class="col-md-2"> model {{ iii }}
 662                           {% if not task.damino %}
 663                           after conversion to allatom
 664                           {% endif %}
 665                           {{ remd_models|index:iii|linebreaks }}
 666                           NGL viewer</div>
 667                           <div class="col-md-10" id={{viewporti}}
 668                           style="width:500px;height:500px;">
 669                           </div>
 670                         </li>
 671                         <li class="list-group-item task-item">
 672                <div class="col-md-12">
 673                {% if task.md_pdbref %}
 674                <button id={{toggleRefi}}>Reference structure on/off</button>
 675                {% endif %}
 676                <button id={{toggleSidechainsi}}>Side-chains on/off</button>
 677                <a class="btn btn-default"
 678                href="/myfiles/download-file/{{task.jobdirname}}/{{MODELi}}">Download</a>
 679                </div>
 680                         </li>
 681                         </div>
 682                 {% endwith %}
 683                 {% endwith %}
 684                 {% endwith %}
 685                 {% endwith %}
 686                 {% endwith %}
 687                 {% endfor %}
 688
 689                         {% endif %}
 690
 691         {% endif %}
 692
 693         </ul>
 694 {% else %}
 695 <h2>
 696 Regular user cannot use this link.
 697 </h2>
 698 {% endif %}
 699
 700 <script src="/static/jquery.min.js"></script>
 701 <script src="https://unpkg.com/ngl"></script>
 702
 703 <script>
 704 $('.majorpointslegend').click(function(){
 705     $(this.parentNode).find('.hiders').toggle();
 706     if($(this.parentNode).find('.majorpointslegend').text()=='Show input parameters'){
 707         $(this.parentNode).find('.majorpointslegend').text('Hide input parameters');
 708     }else{
 709         $(this.parentNode).find('.majorpointslegend').text('Show input parameters');
 710     }
 711 });
 712 </script>
 713
 714 {% if task.type == "remd" or task.type == "dock" %}
 715 <script>
 716 function display_model(num){
 717
 718  numstr=num.toString();
 719 {% if task.md_pdbref %}
 720   var stage = new NGL.Stage("viewport_M"+numstr);
 721   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 722   Promise.all([
 723       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/plik1.pdb" ,{defaultRepresentation: false}) .then( function( o ){
 724         o.addRepresentation( "cartoon",{ name:"ref", color:"grey"
 725         })
 726         o.addRepresentation( "line", {name:"refsc",visible: false,
 727          sele:"not hydrogen and sidechainAttached"
 728         })
 729         return o
 730       }),
 731       stage.loadFile(
 732       "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 733  {% if task.damino %}
 734         o.addRepresentation( "licorice",{ name: "unres", color:
 735                "residueindex",colorScale:["blue","cyan", "green",
 736                "yellow","orange", "red"], sele:".CA"
 737                        })
 738         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 739        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 740         , sele:"*" })
 741  {% else %}
 742         o.addRepresentation( "cartoon",{ name: "unres", color:
 743                "residueindex",colorScale:["blue","cyan", "green",
 744                "yellow","orange", "red"]
 745                        })
 746         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 747        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 748         , sele:"not hydrogen and sidechainAttached" })
 749  {% endif %}
 750         return o
 751       })
 752   ]).then(function (ol1) {
 753    ol1[ 1 ].superpose(ol1[ 0 ], false, ".CA")
 754    ol1[ 0 ].autoView()
 755   })
 756             var ref=true;
 757             var side=false;
 758             var toggleAll = document.getElementById( "toggleRefM"+numstr );
 759             toggleAll.addEventListener( "click", function(){
 760                         ref=! ref;
 761                         stage.getRepresentationsByName(
 762                                 "ref" ).list.forEach( function( repre ){
 763                                 repre.setVisibility( !repre.visible );
 764                         } );
 765                 if (side) {
 766                         stage.getRepresentationsByName(
 767                                 "refsc" ).list.forEach( function( repre ){
 768                                 repre.setVisibility( !repre.visible );
 769                         } );
 770                 }
 771
 772             } );
 773      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 774      toggleSidechains.addEventListener( "click", function(){
 775              side=!side;
 776              if (ref) {
 777                  stage.getRepresentationsByName(
 778                         "refsc" ).list.forEach( function( repre ){
 779                         repre.setVisibility( !repre.visible );
 780              } );
 781       }
 782       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 783                         repre.setVisibility( !repre.visible );
 784         } );
 785
 786       } );
 787 {% else %}
 788   var stage = new NGL.Stage("viewport_M"+numstr);
 789   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 790   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 791  {% if task.damino %}
 792         o.addRepresentation( "licorice",{ name: "unres", color:
 793                "residueindex",colorScale:["blue","cyan", "green",
 794                "yellow","orange", "red"],sele:".CA"
 795                        });
 796         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 797        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 798         , sele:"*" });
 799  {% else %}
 800         o.addRepresentation( "cartoon",{ name: "unres", color:
 801                "residueindex",colorScale:["blue","cyan", "green",
 802                "yellow","orange", "red"]
 803                        });
 804         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 805        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 806         , sele:"not hydrogen and sidechainAttached" });
 807  {% endif %}
 808         o.autoView();
 809   })
 810      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 811      toggleSidechains.addEventListener( "click", function(){
 812       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 813                         repre.setVisibility( !repre.visible );
 814         } );
 815
 816       } );
 817
 818 {% endif %}
 819 }
 820
 821
 822 window.addEventListener("resize",
 823 function (event) {
 824       stage.handleResize();
 825 },false);
 826
 827
 828 display_model(1)
 829
 830
 831 var slideIndex = 1;
 832 var y = document.getElementsByClassName("model");
 833 var lista=[];
 834 var ii;
 835 for (ii = 0; ii < y.length; ii++) {
 836  lista.push(0)
 837 }
 838 lista[0]=1;
 839 showDivs(slideIndex);
 840
 841 function plusDivs(n) {
 842   showDivs(slideIndex += n);
 843 }
 844
 845 function showDivs(n) {
 846   var i;
 847   var x = document.getElementsByClassName("model");
 848   if (n > x.length) {slideIndex = 1}
 849   if (n < 1) {slideIndex = x.length}
 850   for (i = 0; i < x.length; i++) {
 851      x[i].style.display = "none";
 852   }
 853   x[slideIndex-1].style.display = "block";
 854
 855   if (lista[slideIndex-1] == 0) {
 856     display_model(slideIndex)
 857   }
 858
 859
 860   if (lista[slideIndex-1] == 0) {lista[slideIndex-1]=1}
 861 }
 862 </script>
 863 {% endif %}
 864
 865 {% if not task.done %}
 866 <script>
 867 function worker() {
 868   $.ajax({
 869     data:{csrfmiddlewaretoken: '{{ csrf_token }}'},
 870     url: "/refresh_done1/{{task.id}}/",
 871     type:"post",
 872     success: function(data) {
 873       document.location.reload();
 874     },
 875     complete: function() {
 876       // Schedule the next request when the current one's complete
 877       setTimeout(worker, 30000);
 878     }
 879   });
 880 };
 881 $(document).ready(function() {
 882   // run the first time; all subsequent calls will take care of themselves
 883   setTimeout(worker, 30000);
 884 });
 885 </script>
 886 {% endif %}
 887
 888
 889 {% if task.type == "min" %}
 890 <script>
 891 window.addEventListener("resize",
 892      function (event) {
 893      stage.handleResize();
 894      },false);
 895
 896 var stage_unres = new NGL.Stage("viewport_unres");
 897 stage_unres.setParameters( { backgroundColor: "white" } );
 898 /**
 899 [color_Red, color_Green, color_Blue, ellipsoid_width, ellipsoid_length ]
 900 */
 901 var resdb = {   'CYS': [1.000, 1.000, 0.000, 1.33741, 2.96868],
 902                 'MET': [0.000, 1.000, 0.000, 1.36694, 3.08863],
 903                 'PHE': [0.000, 0.392, 0.000, 1.48323, 3.04238],
 904                 'ILE': [0.000, 1.000, 0.000, 1.44098, 3.17389],
 905                 'LEU': [0.000, 1.000, 0.000, 1.51054, 2.52078],
 906                 'VAL': [0.000, 1.000, 0.000, 1.42072, 2.68924],
 907                 'TRP': [0.000, 0.392, 0.000, 1.23867, 3.47403],
 908                 'TYR': [0.596, 0.984, 0.596, 1.23060, 3.35434],
 909                 'ALA': [0.000, 1.000, 0.000, 1.23266, 1.72686],
 910                 'GLY': [1.000, 1.000, 1.000, 1.24626, 1.11383],
 911                 'THR': [1.000, 0.000, 1.000, 1.28674, 2.59210],
 912                 'SER': [1.000, 0.000, 1.000, 1.22820, 1.68800],
 913                 'GLN': [1.000, 0.000, 1.000, 1.24239, 2.22201],
 914                 'ASN': [1.000, 0.000, 1.000, 1.24447, 2.24946],
 915                 'GLU': [1.000, 0.000, 0.000, 1.25448, 2.05551],
 916                 'ASP': [1.000, 0.000, 0.000, 1.25417, 1.77556],
 917                 'HIS': [1.000, 0.000, 1.000, 1.21103, 3.02627],
 918                 'ARG': [0.000, 0.000, 1.000, 1.13573, 3.25143],
 919                 'LYS': [0.000, 0.000, 1.000, 1.22604, 4.50054],
 920                 'PRO': [0.000, 1.000, 1.000, 1.35131, 2.20525]
 921                         };
 922 stage_unres.loadFile("/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb", {defaultRepresentation: false}).then
 923        (function ( o ){
 924        var shape = new NGL.Shape("shape")
 925        var chain = ""
 926        o.addRepresentation("licorice");
 927        o.structure.eachAtom(function(atom){
 928          if (atom.atomname == "CA" && atom.chainname == chain) {
 929           px=CAx+(atom.x-CAx)/2;
 930           py=CAy+(atom.y-CAy)/2;
 931           pz=CAz+(atom.z-CAz)/2;
 932           shape.addSphere([px,py,pz],[0.643, 0.933, 0.960],0.6,"p");
 933          }
 934          if (atom.atomname == "CA") {
 935          chain= atom.chainname
 936          CAx= atom.x;
 937          CAy= atom.y
 938          CAz= atom.z
 939          }
 940          if (atom.atomname == "CB") {
 941           mx = (atom.x-CAx);
 942           my = (atom.y-CAy);
 943           mz = (atom.z-CAz);
 944           norm=Math.sqrt(mx*mx+my*my+mz*mz);
 945           res=atom.resname;
 946           var longaxis=resdb[res][4]
 947           var shortaxis=resdb[res][3]
 948           mx = mx /norm*longaxis;
 949           my = my /norm*longaxis;
 950           mz = mz /norm*longaxis;
 951           resn=res+atom.resno
 952           shape.addEllipsoid([ atom.x, atom.y, atom.z ],
 953               [ resdb[res][0], resdb[res][1], resdb[res][2]],
 954               shortaxis, [ mx, my, mz ], [ 0, shortaxis, 0 ],resn);
 955          }
 956        });
 957        var shapeComp = stage_unres.addComponentFromObject(shape)
 958        shapeComp.addRepresentation("buffer")
 959        o.autoView();
 960 });
 961
 962
 963
 964 var stage = new NGL.Stage("viewport_min");
 965 stage.setParameters( { backgroundColor: "white" } );
 966 Promise.all([
 967   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb" ,{defaultRepresentation: false}) .then( function( o ){
 968      o.addRepresentation( "backbone",{ color:
 969        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 970      })
 971      o.addRepresentation( "licorice",{ color:
 972        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange","red"]
 973      })
 974      return o
 975   }),
 976
 977   stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik.pdb",{defaultRepresentation: false}) .then( function( o ){
 978      o.addRepresentation( "backbone",{ name: "allatom", color:
 979        "residueindex",colorScale:["blue","cyan", "green","yellow","orange", "red"]
 980      })
 981      o.addRepresentation( "line",{ name: "allatomsc", color:
 982        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 983        ,sele:"not hydrogen and sidechainAttached"
 984      })
 985      return o
 986   })
 987 ]).then(function (ol) {
 988    ol[ 0 ].superpose(ol[ 1 ], false, ".CA")
 989    ol[ 0 ].autoView()
 990 })
 991
 992 var allatom=true;
 993 var side=true;
 994 var toggleAll = document.getElementById( "toggleAllatom" );
 995 toggleAll.addEventListener( "click", function(){
 996                         allatom=! allatom;
 997                         stage.getRepresentationsByName(
 998                                 "allatom" ).list.forEach( function( repre ){
 999                                 repre.setVisibility( !repre.visible );
1000                         } );
1001             if (side) {
1002                         stage.getRepresentationsByName(
1003                                 "allatomsc" ).list.forEach( function( repre ){
1004                                 repre.setVisibility( !repre.visible );
1005                         } );
1006             }
1007 } );
1008 var toggleSidechains = document.getElementById("toggleSidechains2" );
1009 toggleSidechains.addEventListener( "click", function(){
1010           side=!side;
1011           if (allatom) {
1012                 stage.getRepresentationsByName(
1013                         "allatomsc" ).list.forEach( function( repre ){
1014                                 repre.setVisibility( !repre.visible );
1015                 } );
1016
1017           }
1018           stage.getRepresentationsByName("licorice").list.forEach( function( repre ){
1019                 repre.setVisibility( !repre.visible );
1020           } );
1021
1022 } );
1023 </script>
1024 {% endif %}
1025
1026 {% if task.type == "md" and task.md_start == "pdbstart" %}
1027 <script>
1028 window.addEventListener("resize",
1029      function (event) {
1030      stage.handleResize();
1031      },false);
1032
1033 var stage = new NGL.Stage("viewport_putty");
1034 stage.setParameters( { backgroundColor: "white" } );
1035
1036 var tooltip = document.createElement("div")
1037 Object.assign(tooltip.style, {
1038   display: "none",
1039   position: "fixed",
1040   zIndex: 10,
1041   pointerEvents: "none",
1042   backgroundColor: "rgba( 0, 0, 0, 0.6 )",
1043   color: "lightgrey",
1044   padding: "8px",
1045   fontFamily: "sans-serif"
1046 })
1047 document.body.appendChild(tooltip)
1048
1049 stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik_bf.pdb", {defaultRepresentation: false}).then
1050        (function ( o ){
1051        o.addRepresentation("tube",{ color: "bfactor" , scale: 0.25,
1052        sele: "backbone",
1053        radius:"bfactor",
1054        colorScale:["blue","cyan", "green", "yellow","orange", "red"] });
1055        o.addRepresentation("licorice",{sele:"sidechainAttached and CYS and not hydrogen"});
1056        o.autoView();
1057 })
1058
1059 // remove default hoverPick mouse action
1060 stage.mouseControls.remove("hoverPick")
1061
1062 stage.signals.hovered.add(function (pickingProxy) {
1063   if (pickingProxy && (pickingProxy.atom || pickingProxy.bond)) {
1064     var atom = pickingProxy.atom || pickingProxy.closestBondAtom
1065     var mp = pickingProxy.mouse.position
1066     var bf= atom.bfactor.toFixed(2)
1067     tooltip.innerText = atom.qualifiedName()+" Fluctuation="+ bf
1068     tooltip.style.bottom = window.innerHeight - mp.y + 3 + "px"
1069     tooltip.style.left = mp.x + 3 + "px"
1070     tooltip.style.display = "block"
1071   } else {
1072     tooltip.style.display = "none"
1073   }
1074 })
1075 </script>
1076 {% endif %}
1077
1078 {% if task.type == "md" and task.md_mdpdb %}
1079 <script>
1080 window.addEventListener("resize",
1081      function (event) {
1082      stage.handleResize();
1083      },false);
1084
1085       var stage = new NGL.Stage("viewport_traj");
1086       stage.setParameters( { backgroundColor: "white" } );
1087       stage.setParameters( { cameraType: "orthographic" } );
1088       var traj;
1089       var player;
1090       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_MD000.pdb", {
1091        asTrajectory: true } ) .then( function( o ){
1092         o.setName ("unres_md");
1093         o.addRepresentation( "backbone",{ color:
1094        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1095         });
1096         o.addRepresentation( "licorice",{ color:
1097        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1098         });
1099         o.setPosition([0, 0, 100]);
1100         o.autoView();
1101         o.addTrajectory();
1102       });
1103
1104             var toggleSidechains = document.getElementById( "toggleSidechains1" );
1105             toggleSidechains.addEventListener( "click", function(){
1106                                                         stage.getRepresentationsByName( "licorice" ).list.forEach( function( repre ){
1107                                                                         repre.setVisibility( !repre.visible );
1108                                                         } );
1109             } );
1110
1111
1112       function numberWithCommas(x) {
1113                 return x.toString().replace(/\B(?=(\d{3})+(?!\d))/g, ",");
1114       }
1115       var toggleRunMDs = document.getElementById( "toggleRunMDs" );
1116       var isRunning = false;
1117       toggleRunMDs.addEventListener( "click", function(){
1118          var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1119          var player = new NGL.TrajectoryPlayer(trajComp.trajectory, {timeout: 10, mode: "once"});
1120                                 if( !isRunning ){
1121                                         player.play();
1122                                         isRunning = true;
1123
1124                     trajComp.signals.frameChanged.add(function(){
1125                       var fnum=trajComp.trajectory.currentFrame+1;
1126                       clipRange.value = fnum;
1127                       clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
1128                     });
1129
1130                                 }else{
1131                                         player.play();
1132                                         player.pause();
1133                                         isRunning = false;
1134                                 }
1135       } );
1136       var clipRange = document.getElementById( "clipRange" );
1137       var clipRange_val = document.getElementById( "clipRange_val" );
1138       clipRange.oninput = function( e ){
1139                 var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1140                 trajComp.setFrame(e.target.value-1)
1141                 clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
1142       };
1143
1144 </script>
1145 {% endif %}
1146
1147
1148 {% endblock %}