django_simple/todo/templates/details.html

   1 {% extends "base.html" %}
   2
   3 {% load index %}
   4 {% load i18n lazysignup_tags %}
   5 {% block content %}
   6
   7 {% if user|is_lazy_user %}
   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_done/" 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 {% endif %}
  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                                               {% if task.running == 100  %}
  65                                               postprocessing
  66                                               {% endif %}
  67                                           {% else %}
  68                                                 <span class="fa fa-square-o"></span>
  69                                           {% endif %}
  70                                         {% endif %}
  71
  72                                 </div>
  73                         </li>
  74 <div>
  75     <fieldset class="majorpoints">
  76     <legend class="majorpointslegend"
  77     style="background-color:#d3d3d3;cursor: pointer;">Show input parameters</legend>
  78     <div class="hiders" style="display:none" >
  79
  80                         <li class="list-group-item task-item">
  81                             <div class="col-md-6"> type </div>
  82                             <div class="col-md-6">{{ task.type }}</div>
  83                         </li>
  84
  85                         <li class="list-group-item task-item">
  86                             <div class="col-md-6"> pbsjob </div>
  87                             <div class="col-md-6">{{ task.pbsjob }}</div>
  88                         </li>
  89
  90
  91                         <li class="list-group-item task-item">
  92                             <div class="col-md-6"> force field </div>
  93                             <div class="col-md-6">{{ task.unres_ff }}</div>
  94                         </li>
  95
  96                         <li class="list-group-item task-item">
  97                             <div class="col-md-4"> sequence </div>
  98                             <div class="col-md-8 monospace">{{ task.md_seq}}</div>
  99                         </li>
 100
 101                         <li class="list-group-item task-item">
 102                             <div class="col-md-4"> secondary structure
 103                             restraints </div>
 104                             <div class="col-md-8 monospace">{{ task.md_2d}}</div>
 105                         </li>
 106
 107
 108                         <li class="list-group-item task-item">
 109                             <div class="col-md-6"> SSBOND </div>
 110                             <div class="col-md-6">{{ task.ssbond}}</div>
 111                         </li>
 112
 113
 114         {% if task.type == "min" %}
 115
 116
 117                         <li class="list-group-item task-item">
 118                             <div class="col-md-6"> algorithm</div>
 119                             <div class="col-md-6">{{ task.min_choice }}</div>
 120                         </li>
 121                         <li class="list-group-item task-item">
 122                             <div class="col-md-6"> overlap</div>
 123                             <div class="col-md-6">{{ task.min_overlap }}</div>
 124                         </li>
 125                         <li class="list-group-item task-item">
 126                             <div class="col-md-6"> searchsc</div>
 127                             <div class="col-md-6">{{ task.min_searchsc }}</div>
 128                         </li>
 129                         <li class="list-group-item task-item">
 130                             <div class="col-md-6"> maxmin</div>
 131                             <div class="col-md-6">{{ task.min_maxmin }}</div>
 132                         </li>
 133                         <li class="list-group-item task-item">
 134                             <div class="col-md-6"> maxfun</div>
 135                             <div class="col-md-6">{{ task.min_maxfun }}</div>
 136                         </li>
 137                         <li class="list-group-item task-item">
 138                             <div class="col-md-6"> pdbout</div>
 139                             <div class="col-md-6">{{ task.min_pdbout }}</div>
 140                         </li>
 141                         <li class="list-group-item task-item">
 142                             <div class="col-md-6"> input pdb </div>
 143                             <div class="col-md-6">{{ task.myfile1 }}</div>
 144                         </li>
 145                         <li class="list-group-item task-item">
 146                             <div class="col-md-6"> pdb code</div>
 147                             <div class="col-md-6">{{ task.pdbcode }}</div>
 148                         </li>
 149                         <li class="list-group-item task-item">
 150                             <div class="col-md-6"> unres_pdb</div>
 151                             <div class="col-md-6">{{ task.min_unres_pdb }}</div>
 152                         </li>
 153
 154         {% endif %}
 155         {% if task.type == "md" %}
 156                         <li class="list-group-item task-item">
 157                             <div class="col-md-6"> starting </div>
 158                             <div class="col-md-6">{{ task.md_start}}</div>
 159                         </li>
 160
 161                         <li class="list-group-item task-item">
 162                             <div class="col-md-6"> input pdb </div>
 163                             <div class="col-md-6">{{ task.myfile1 }}</div>
 164                         </li>
 165                         <li class="list-group-item task-item">
 166                             <div class="col-md-6"> pdb code</div>
 167                             <div class="col-md-6">{{ task.pdbcode }}</div>
 168                         </li>
 169                         <li class="list-group-item task-item">
 170                             <div class="col-md-6"> seed </div>
 171                             <div class="col-md-6">{{ task.md_seed}}</div>
 172                         </li>
 173                         <li class="list-group-item task-item">
 174                             <div class="col-md-6"> pdbref </div>
 175                             <div class="col-md-6">{{ task.md_pdbref}}</div>
 176                         </li>
 177                         <li class="list-group-item task-item">
 178                             <div class="col-md-6"> respa </div>
 179                             <div class="col-md-6">{{ task.md_respa}}</div>
 180                         </li>
 181                         <li class="list-group-item task-item">
 182                             <div class="col-md-6"> temperature </div>
 183                             <div class="col-md-6">{{ task.md_temp}}</div>
 184                         </li>
 185                         <li class="list-group-item task-item">
 186                             <div class="col-md-6"> nstep </div>
 187                             <div class="col-md-6">{{ task.md_nstep}}</div>
 188                         </li>
 189                         <li class="list-group-item task-item">
 190                             <div class="col-md-6"> total steps (with restarts) </div>
 191                             <div class="col-md-6">{{ task.md_total_steps}}</div>
 192                         </li>
 193                         <li class="list-group-item task-item">
 194                             <div class="col-md-6"> ntwe </div>
 195                             <div class="col-md-6">{{ task.md_ntwe}}</div>
 196                         </li>
 197                         <li class="list-group-item task-item">
 198                             <div class="col-md-6"> ntwx </div>
 199                             <div class="col-md-6">{{ task.md_ntwx}}</div>
 200                         </li>
 201                         <li class="list-group-item task-item">
 202                             <div class="col-md-6"> dt </div>
 203                             <div class="col-md-6">{{ task.md_dt}}</div>
 204                         </li>
 205                         <li class="list-group-item task-item">
 206                             <div class="col-md-6"> thermostat </div>
 207                             <div class="col-md-6">{{ task.md_lang}}</div>
 208                         </li>
 209
 210                         {% if task.md_lang == "berendsen" %}
 211
 212                         <li class="list-group-item task-item">
 213                             <div class="col-md-6"> tau </div>
 214                             <div class="col-md-6">{{ task.md_tau}}</div>
 215                         </li>
 216
 217                         {% else %}
 218
 219                         <li class="list-group-item task-item">
 220                             <div class="col-md-6"> scal_fric </div>
 221                             <div class="col-md-6">{{ task.md_scal_fric}}</div>
 222                         </li>
 223
 224                         {% endif %}
 225
 226                         <li class="list-group-item task-item">
 227                             <div class="col-md-6"> mdpdb </div>
 228                             <div class="col-md-6">{{ task.md_mdpdb}}</div>
 229                         </li>
 230                         <li class="list-group-item task-item">
 231                             <div class="col-md-6"> RESPA </div>
 232                             <div class="col-md-6">{{ task.md_respa}}</div>
 233                         </li>
 234
 235
 236         {% endif %}
 237
 238         {% if task.type == "remd" or task.type == "dock" %}
 239
 240                         <li class="list-group-item task-item">
 241                             <div class="col-md-6"> nrep </div>
 242                             <div class="col-md-6">{{ task.remd_nrep}}</div>
 243                         </li>
 244                         <li class="list-group-item task-item">
 245                             <div class="col-md-6"> starting </div>
 246                             <div class="col-md-6">{{ task.md_start}}</div>
 247                         </li>
 248
 249                         <li class="list-group-item task-item">
 250                             <div class="col-md-6"> input pdb </div>
 251                             <div class="col-md-6">{{ task.myfile1 }}</div>
 252                         </li>
 253                         <li class="list-group-item task-item">
 254                             <div class="col-md-6"> pdb code</div>
 255                             <div class="col-md-6">{{ task.pdbcode }}</div>
 256                         </li>
 257                         {% if task.type == "dock" %}
 258                         <li class="list-group-item task-item">
 259                             <div class="col-md-6"> input pdb2 </div>
 260                             <div class="col-md-6">{{ task.myfile2 }}</div>
 261                         </li>
 262                         <li class="list-group-item task-item">
 263                             <div class="col-md-6"> pdb code2</div>
 264                             <div class="col-md-6">{{ task.pdbcode2 }}</div>
 265                         </li>
 266                         <li class="list-group-item task-item">
 267                             <div class="col-md-6"> dock_peptide</div>
 268                             <div class="col-md-6">{{ task.dock_peptide }}</div>
 269                         </li>
 270
 271                         {% endif %}
 272                         <li class="list-group-item task-item">
 273                             <div class="col-md-6"> seed </div>
 274                             <div class="col-md-6">{{ task.md_seed}}</div>
 275                         </li>
 276                         <li class="list-group-item task-item">
 277                             <div class="col-md-6"> pdbref </div>
 278                             <div class="col-md-6">{{ task.md_pdbref}}</div>
 279                         </li>
 280                         {% if task.md_start == "pdbstart" %}
 281                         <li class="list-group-item task-item">
 282                             <div class="col-md-6"> preminim maxfun </div>
 283                             <div class="col-md-6">{{ task.min_maxfun }}</div>
 284                         </li>
 285                         {% endif %}
 286                         <li class="list-group-item task-item">
 287                             <div class="col-md-6"> respa </div>
 288                             <div class="col-md-6">{{ task.md_respa}}</div>
 289                         </li>
 290                         <li class="list-group-item task-item">
 291                             <div class="col-md-6"> nstep </div>
 292                             <div class="col-md-6">{{ task.md_nstep}}</div>
 293                         </li>
 294                         <li class="list-group-item task-item">
 295                             <div class="col-md-6"> total steps (with restarts) </div>
 296                             <div class="col-md-6">{{ task.md_total_steps}}</div>
 297                         </li>
 298                         <li class="list-group-item task-item">
 299                             <div class="col-md-6"> ntwe </div>
 300                             <div class="col-md-6">{{ task.md_ntwe}}</div>
 301                         </li>
 302                         <li class="list-group-item task-item">
 303                             <div class="col-md-6"> nstex </div>
 304                             <div class="col-md-6">{{ task.remd_nstex}}</div>
 305                         </li>
 306                         <li class="list-group-item task-item">
 307                             <div class="col-md-6"> ntwx </div>
 308                             <div class="col-md-6">{{ task.md_ntwx}}</div>
 309                         </li>
 310                         <li class="list-group-item task-item">
 311                             <div class="col-md-6"> dt </div>
 312                             <div class="col-md-6">{{ task.md_dt}}</div>
 313                         </li>
 314                         <li class="list-group-item task-item">
 315                             <div class="col-md-6"> thermostat </div>
 316                             <div class="col-md-6">{{ task.md_lang}}</div>
 317                         </li>
 318
 319                         {% if task.md_lang == "berendsen" %}
 320
 321                         <li class="list-group-item task-item">
 322                             <div class="col-md-6"> tau </div>
 323                             <div class="col-md-6">{{ task.md_tau}}</div>
 324                         </li>
 325
 326                         {% else %}
 327
 328                         <li class="list-group-item task-item">
 329                             <div class="col-md-6"> scal_fric </div>
 330                             <div class="col-md-6">{{ task.md_scal_fric}}</div>
 331                         </li>
 332
 333                         {% endif %}
 334
 335                         <li class="list-group-item task-item">
 336                             <div class="col-md-6"> RESPA </div>
 337                             <div class="col-md-6">{{ task.md_respa}}</div>
 338                         </li>
 339
 340                         <li class="list-group-item task-item">
 341                             <div class="col-md-6"> temperatures </div>
 342                             <div class="col-md-6">{{ task.remd_multi_t}}</div>
 343                         </li>
 344                         <li class="list-group-item task-item">
 345                             <div class="col-md-6"> multiplex </div>
 346                             <div class="col-md-6">{{ task.remd_multi_m}}</div>
 347                         </li>
 348                         <li class="list-group-item task-item">
 349                             <div class="col-md-6"> temperature for clustering</div>
 350                             <div class="col-md-6">{{ task.remd_cluter_temp}}</div>
 351                         </li>
 352                         {% if task.saxs_data != "" %}
 353                         <li class="list-group-item task-item">
 354                             <div class="col-md-6"> wsaxs </div>
 355                             <div class="col-md-6">{{ task.wsaxs }}</div>
 356                         </li>
 357                         <li class="list-group-item task-item">
 358                             <div class="col-md-6"> scal_rad (saxs) </div>
 359                             <div class="col-md-6">{{ task.scal_rad }}</div>
 360                         </li>
 361                         <li class="list-group-item task-item">
 362                             <div class="col-md-6"> saxs distribution </div>
 363                             <div class="col-md-6"><pre> {{ task.saxs_data }}</pre></div>
 364                         </li>
 365                         {% endif %}
 366
 367         {% endif %}
 368
 369                         <li class="list-group-item task-item">
 370                             <div class="col-md-6"> Box X Y Z</div>
 371                             <div class="col-md-2">{{ task.boxx}}</div>
 372                             <div class="col-md-2">{{ task.boxy}}</div>
 373                             <div class="col-md-2">{{ task.boxz}}</div>
 374                         </li>
 375
 376 </div>
 377 </div>
 378         <p>
 379         <h3> Results </h3>
 380                         <li class="list-group-item task-item">
 381                             <div class="col-md-4"> Directory </div>
 382                             <div class="col-md-8">
 383                             <a href="/myfiles/list/{{task.jobdirname}}/">
 384                             {{ task.jobdirname }}
 385                             </a>
 386                             {% if task.done %}
 387                             &nbsp;
 388                             <a class="btn btn-default"
 389                             href="/{{task.id}}/all.zip">
 390                             Download as zip</a>
 391                             {% endif %}
 392                             </div>
 393                         </li>
 394
 395
 396         {% if task.done %}
 397
 398                         {% if task.type == "min" %}
 399
 400                         <li class="list-group-item task-item">
 401                             <div class="col-md-2"> Etot </div>
 402                             <div class="col-md-10">{{ task.etot }}</div>
 403                         </li>
 404 <!--
 405                         <li class="list-group-item task-item">
 406                           <div class="col-md-2"> UNRES model </div>
 407                           <div class="col-md-10">
 408                           <a
 409                            href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
 410                           <img
 411                           src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
 412                           width="500"></a> </div>
 413                         </li>
 414 -->
 415                         <li class="list-group-item task-item">
 416                           <div class="col-md-2"> UNRES model NGL viewer</div>
 417                           <div class="col-md-10" id="viewport_unres"
 418                           style="width:500px;height:500px;">
 419                           </div>
 420                         </li>
 421
 422
 423 <!--
 424                         <li class="list-group-item task-item">
 425                           <div class="col-md-2"> Structure overlap </div>
 426                           <div class="col-md-10"> <img
 427                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
 428                           width="500"> </div>
 429                         </li>
 430 -->
 431                         <li class="list-group-item task-item">
 432                           <div class="col-md-2"> Structure overlap NGL viewer</div>
 433                           <div class="col-md-10" id="viewport_min"
 434                           style="width:500px;height:500px;">
 435                           </div>
 436                         </li>
 437                         <li class="list-group-item task-item">
 438                <div class="col-md-12">
 439                <button id="toggleAllatom">Input structure on/off</button>
 440                <button id="toggleSidechains2">Side-chains on/off</button>
 441                </div>
 442                         </li>
 443                         {% endif %}
 444
 445                         <li class="list-group-item task-item">
 446                             <div class="col-md-2"> Results </div>
 447                             <div class="col-md-10">{{ task.results_text|linebreaks }}</div>
 448                         </li>
 449
 450                         {% if task.type == "md" %}
 451
 452                         <li class="list-group-item task-item">
 453                           <div class="col-md-2"> Temperature histogram </div>
 454                           <div class="col-md-10"> <img
 455                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
 456                           width="500"> </div>
 457                         </li>
 458
 459                         <li class="list-group-item task-item">
 460                           <div class="col-md-2"> Potential energy </div>
 461                           <div class="col-md-10"> <img
 462                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
 463                           width="500"> </div>
 464                         </li>
 465
 466                             <li class="list-group-item task-item">
 467                             <div class="col-md-2"> Movie </div>
 468                             <div class="col-md-10">
 469
 470                             <video width="500" height="400"
 471                             preload="auto" controls="controls">
 472                             <source
 473                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
 474                             type="video/ogg; codecs=theora"> </source>
 475                             </video>
 476
 477                             </div>
 478                             </li>
 479
 480 {% if task.md_mdpdb %}
 481                         <li class="list-group-item task-item">
 482                           <div class="col-md-2"> Trajectory NGL viewer</div>
 483                           <div class="col-md-10" id="viewport_traj"
 484                           style="width:500px;height:500px;">
 485                           </div>
 486                         </li>
 487                         <li class="list-group-item task-item">
 488                <div class="col-md-6">
 489 <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
 490 </div>
 491 <div class="col-md-6">
 492 <button id="toggleRunMDs">run/pause MD</button>
 493 <button id="toggleSidechains1">side-chains on/off</button>
 494 </div>
 495                         </li>
 496
 497 {% endif %}
 498
 499                         <li class="list-group-item task-item">
 500                           <div class="col-md-2"> Radius of gyration based
 501                           on C<sup>α</sup> coordinates </div>
 502                           <div class="col-md-10"> <img
 503                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
 504                           width="500"> </div>
 505                         </li>
 506
 507
 508
 509                            {% if task.md_pdbref %}
 510                         <li class="list-group-item task-item">
 511                           <div class="col-md-2"> C<sup>&alpha;</sup> RMSD </div>
 512                           <div class="col-md-10"> <img
 513                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
 514                           width="500"> </div>
 515                         </li>
 516
 517                         <li class="list-group-item task-item">
 518                           <div class="col-md-2"> fraction of native
 519                           side-chain concacts </div>
 520                           <div class="col-md-10"> <img
 521                           src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
 522                           width="500"> </div>
 523                         </li>
 524
 525                            {% endif %}
 526
 527                            {% if task.md_start == "pdbstart" %}
 528                         <li class="list-group-item task-item">
 529                           <div class="col-md-2"> fluctuations </div>
 530                           <div class="col-md-10"> <img
 531                           src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
 532                           width="500"> </div>
 533                         </li>
 534 <!--
 535                         <li class="list-group-item task-item">
 536                           <div class="col-md-2"> fluctuations putty on
 537                           starting structure</div>
 538                           <div class="col-md-10">
 539                           <a
 540                           href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
 541                           <img
 542                           src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
 543                           width="500"></a> </div>
 544                         </li>
 545 -->
 546                         <li class="list-group-item task-item">
 547                           <div class="col-md-2"> fluctuations putty on
 548                           starting structure NGL viewer</div>
 549                           <div class="col-md-10" id="viewport_putty"
 550                           style="width:500px;height:500px;">
 551                           </div>
 552                         </li>
 553
 554
 555                            {% endif %}
 556
 557
 558
 559                         {% endif %}
 560
 561                         {% if task.type == "remd" or task.type == "dock" %}
 562
 563                         <li class="list-group-item task-item">
 564                           <div class="col-md-2"> Energy histogram </div>
 565                           <div class="col-md-10"> <img
 566                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
 567                           width="500"> </div>
 568                         </li>
 569
 570                         <li class="list-group-item task-item">
 571                           <div class="col-md-2"> Energy vs. temperature </div>
 572                           <div class="col-md-10"> <img
 573                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
 574                           width="500"> </div>
 575                         </li>
 576
 577                         <li class="list-group-item task-item">
 578                           <div class="col-md-2"> Cv vs. temperature </div>
 579                           <div class="col-md-10"> <img
 580                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
 581                           width="500"> </div>
 582                         </li>
 583
 584                            {% if task.md_pdbref %}
 585
 586                         <li class="list-group-item task-item">
 587                           <div class="col-md-2"> Average C<sup>&alpha;</sup> RMSD vs. temperature </div>
 588                           <div class="col-md-10"> <img
 589                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
 590                           width="500"> </div>
 591                         </li>
 592
 593                         <li class="list-group-item task-item">
 594                           <div class="col-md-2"> potential energy vs.
 595                           C<sup>&alpha;</sup> RMSD</div>
 596                           <div class="col-md-10"> <img
 597                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
 598                           width="500"> </div>
 599                         </li>
 600
 601                         <li class="list-group-item task-item">
 602                           <div class="col-md-2"> C<sup>&alpha;</sup> RMSD vs. step*replica
 603                           colored by bath temperature</div>
 604                           <div class="col-md-10"> <img
 605                           src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
 606                           width="500"> </div>
 607                         </li>
 608
 609
 610                            {% endif %}
 611
 612                         <li class="list-group-item task-item">
 613                           <div class="col-md-2"> exchanges (walk in T) </div>
 614                           <div class="col-md-10"> <img
 615                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
 616                           width="500"> </div>
 617                         </li>
 618
 619                            {% if task.saxs_data != "" %}
 620                         <li class="list-group-item task-item">
 621                           <div class="col-md-2"> P(r) of input SAXS data and
 622                           calculated for 5 models and the input pdb</div>
 623                           <div class="col-md-10"> <img
 624                           src="/myfiles/download-file/{{task.jobdirname}}/saxs.png"
 625                           width="500"> </div>
 626                         </li>
 627                            {% endif %}
 628
 629         <li class="list-group-item task-item">
 630         <div class="col-md-4">
 631         <button onclick="plusDivs(-1)">&#10094;</button>
 632         </div>
 633         <div class="col-md-6">
 634         select model
 635         </div>
 636         <div class="col-md-2">
 637         <button onclick="plusDivs(1)">&#10095;</button>
 638         </div>
 639         </li>
 640
 641                 {% for iii in "12345" %}
 642
 643                 {% with istr=forloop.counter|stringformat:"s" %}
 644                 {% with MODELi="MODEL"|add:istr|add:".pdb" %}
 645                 {% with viewporti="viewport_M"|add:istr %}
 646                 {% with toggleRefi="toggleRefM"|add:istr %}
 647                 {% with toggleSidechainsi="toggleSidechainsM"|add:istr %}
 648
 649                         <div class="model">
 650                         <li class="list-group-item task-item">
 651                           <div class="col-md-2"> model {{ iii }}
 652                           {% if not task.damino %}
 653                           after conversion to allatom
 654                           {% endif %}
 655                           {{ remd_models|index:forloop.counter|linebreaks }}
 656                           NGL viewer</div>
 657                           <div class="col-md-10" id={{viewporti}}
 658                           style="width:500px;height:500px;">
 659                           </div>
 660                         </li>
 661                         <li class="list-group-item task-item">
 662                <div class="col-md-12">
 663                {% if task.md_pdbref %}
 664                <button id={{toggleRefi}}>Reference structure on/off</button>
 665                {% endif %}
 666                <button id={{toggleSidechainsi}}>Side-chains on/off</button>
 667                <a class="btn btn-default"
 668                href="/myfiles/download-file/{{task.jobdirname}}/{{MODELi}}">Download</a>
 669                </div>
 670                         </li>
 671                         </div>
 672                 {% endwith %}
 673                 {% endwith %}
 674                 {% endwith %}
 675                 {% endwith %}
 676                 {% endwith %}
 677                 {% endfor %}
 678
 679                         {% endif %}
 680
 681         {% endif %}
 682
 683         </ul>
 684
 685 <script src="/static/jquery.min.js"></script>
 686 <script src="https://unpkg.com/ngl"></script>
 687
 688 <script>
 689 $('.majorpointslegend').click(function(){
 690     $(this.parentNode).find('.hiders').toggle();
 691     if($(this.parentNode).find('.majorpointslegend').text()=='Show input parameters'){
 692         $(this.parentNode).find('.majorpointslegend').text('Hide input parameters');
 693     }else{
 694         $(this.parentNode).find('.majorpointslegend').text('Show input parameters');
 695     }
 696 });
 697 </script>
 698
 699 {% if task.type == "remd" or task.type == "dock" %}
 700 <script>
 701 function display_model(num){
 702
 703  numstr=num.toString();
 704 {% if task.md_pdbref %}
 705   var stage = new NGL.Stage("viewport_M"+numstr);
 706   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 707   Promise.all([
 708       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/plik1.pdb" ,{defaultRepresentation: false}) .then( function( o ){
 709         o.addRepresentation( "cartoon",{ name:"ref", color:"grey"
 710         })
 711         o.addRepresentation( "line", {name:"refsc",visible: false,
 712          sele:"not hydrogen and sidechainAttached"
 713         })
 714         return o
 715       }),
 716       stage.loadFile(
 717       "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 718  {% if task.damino %}
 719         o.addRepresentation( "licorice",{ name: "unres", color:
 720                "residueindex",colorScale:["blue","cyan", "green",
 721                "yellow","orange", "red"], sele:".CA"
 722                        })
 723         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 724        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 725         , sele:"*" })
 726  {% else %}
 727         o.addRepresentation( "cartoon",{ name: "unres", color:
 728                "residueindex",colorScale:["blue","cyan", "green",
 729                "yellow","orange", "red"]
 730                        })
 731         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 732        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 733         , sele:"not hydrogen and sidechainAttached" })
 734  {% endif %}
 735         return o
 736       })
 737   ]).then(function (ol1) {
 738    ol1[ 1 ].superpose(ol1[ 0 ], false, ".CA")
 739    ol1[ 0 ].autoView()
 740   })
 741             var ref=true;
 742             var side=false;
 743             var toggleAll = document.getElementById( "toggleRefM"+numstr );
 744             toggleAll.addEventListener( "click", function(){
 745                         ref=! ref;
 746                         stage.getRepresentationsByName(
 747                                 "ref" ).list.forEach( function( repre ){
 748                                 repre.setVisibility( !repre.visible );
 749                         } );
 750                 if (side) {
 751                         stage.getRepresentationsByName(
 752                                 "refsc" ).list.forEach( function( repre ){
 753                                 repre.setVisibility( !repre.visible );
 754                         } );
 755                 }
 756
 757             } );
 758      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 759      toggleSidechains.addEventListener( "click", function(){
 760              side=!side;
 761              if (ref) {
 762                  stage.getRepresentationsByName(
 763                         "refsc" ).list.forEach( function( repre ){
 764                         repre.setVisibility( !repre.visible );
 765              } );
 766       }
 767       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 768                         repre.setVisibility( !repre.visible );
 769         } );
 770
 771       } );
 772 {% else %}
 773   var stage = new NGL.Stage("viewport_M"+numstr);
 774   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 775   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 776  {% if task.damino %}
 777         o.addRepresentation( "licorice",{ name: "unres", color:
 778                "residueindex",colorScale:["blue","cyan", "green",
 779                "yellow","orange", "red"],sele:".CA"
 780                        });
 781         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 782        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 783         , sele:"*" });
 784  {% else %}
 785         o.addRepresentation( "cartoon",{ name: "unres", color:
 786                "residueindex",colorScale:["blue","cyan", "green",
 787                "yellow","orange", "red"]
 788                        });
 789         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 790        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 791         , sele:"not hydrogen and sidechainAttached" });
 792  {% endif %}
 793         o.autoView();
 794   })
 795      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 796      toggleSidechains.addEventListener( "click", function(){
 797       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 798                         repre.setVisibility( !repre.visible );
 799         } );
 800
 801       } );
 802
 803 {% endif %}
 804 }
 805
 806
 807 window.addEventListener("resize",
 808 function (event) {
 809       stage.handleResize();
 810 },false);
 811
 812
 813 display_model(1)
 814
 815
 816 var slideIndex = 1;
 817 var y = document.getElementsByClassName("model");
 818 var lista=[];
 819 var ii;
 820 for (ii = 0; ii < y.length; ii++) {
 821  lista.push(0)
 822 }
 823 lista[0]=1;
 824 showDivs(slideIndex);
 825
 826 function plusDivs(n) {
 827   showDivs(slideIndex += n);
 828 }
 829
 830 function showDivs(n) {
 831   var i;
 832   var x = document.getElementsByClassName("model");
 833   if (n > x.length) {slideIndex = 1}
 834   if (n < 1) {slideIndex = x.length}
 835   for (i = 0; i < x.length; i++) {
 836      x[i].style.display = "none";
 837   }
 838   x[slideIndex-1].style.display = "block";
 839
 840   if (lista[slideIndex-1] == 0) {
 841     display_model(slideIndex)
 842   }
 843
 844   if (lista[slideIndex-1] == 0) {lista[slideIndex-1]=1}
 845 }
 846 </script>
 847 {% endif %}
 848
 849 {% if not task.done %}
 850 <script>
 851 function worker() {
 852   $.ajax({
 853     data:{csrfmiddlewaretoken: '{{ csrf_token }}'},
 854     url: "/refresh_done/",
 855     type:"post",
 856     success: function(data) {
 857       document.location.reload();
 858     },
 859     complete: function() {
 860       // Schedule the next request when the current one's complete
 861       setTimeout(worker, 30000);
 862     }
 863   });
 864 };
 865 $(document).ready(function() {
 866   // run the first time; all subsequent calls will take care of themselves
 867   setTimeout(worker, 30000);
 868 });
 869 </script>
 870 {% endif %}
 871
 872 {% if task.type == "min" %}
 873 <script>
 874 window.addEventListener("resize",
 875      function (event) {
 876      stage.handleResize();
 877      },false);
 878
 879 var stage_unres = new NGL.Stage("viewport_unres");
 880 stage_unres.setParameters( { backgroundColor: "white" } );
 881 /**
 882 [color_Red, color_Green, color_Blue, ellipsoid_width, ellipsoid_length ]
 883 */
 884 var resdb = {   'CYS': [1.000, 1.000, 0.000, 1.33741, 2.96868],
 885                 'MET': [0.000, 1.000, 0.000, 1.36694, 3.08863],
 886                 'PHE': [0.000, 0.392, 0.000, 1.48323, 3.04238],
 887                 'ILE': [0.000, 1.000, 0.000, 1.44098, 3.17389],
 888                 'LEU': [0.000, 1.000, 0.000, 1.51054, 2.52078],
 889                 'VAL': [0.000, 1.000, 0.000, 1.42072, 2.68924],
 890                 'TRP': [0.000, 0.392, 0.000, 1.23867, 3.47403],
 891                 'TYR': [0.596, 0.984, 0.596, 1.23060, 3.35434],
 892                 'ALA': [0.000, 1.000, 0.000, 1.23266, 1.72686],
 893                 'GLY': [1.000, 1.000, 1.000, 1.24626, 1.11383],
 894                 'THR': [1.000, 0.000, 1.000, 1.28674, 2.59210],
 895                 'SER': [1.000, 0.000, 1.000, 1.22820, 1.68800],
 896                 'GLN': [1.000, 0.000, 1.000, 1.24239, 2.22201],
 897                 'ASN': [1.000, 0.000, 1.000, 1.24447, 2.24946],
 898                 'GLU': [1.000, 0.000, 0.000, 1.25448, 2.05551],
 899                 'ASP': [1.000, 0.000, 0.000, 1.25417, 1.77556],
 900                 'HIS': [1.000, 0.000, 1.000, 1.21103, 3.02627],
 901                 'ARG': [0.000, 0.000, 1.000, 1.13573, 3.25143],
 902                 'LYS': [0.000, 0.000, 1.000, 1.22604, 4.50054],
 903                 'PRO': [0.000, 1.000, 1.000, 1.35131, 2.20525]
 904                         };
 905 stage_unres.loadFile("/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb", {defaultRepresentation: false}).then
 906        (function ( o ){
 907        var shape = new NGL.Shape("shape")
 908        var chain = ""
 909        o.addRepresentation("licorice");
 910        o.structure.eachAtom(function(atom){
 911          if (atom.atomname == "CA" && atom.chainname == chain) {
 912           px=CAx+(atom.x-CAx)/2;
 913           py=CAy+(atom.y-CAy)/2;
 914           pz=CAz+(atom.z-CAz)/2;
 915           shape.addSphere([px,py,pz],[0.643, 0.933, 0.960],0.6,"p");
 916          }
 917          if (atom.atomname == "CA") {
 918          chain= atom.chainname
 919          CAx= atom.x;
 920          CAy= atom.y
 921          CAz= atom.z
 922          }
 923          if (atom.atomname == "CB") {
 924           mx = (atom.x-CAx);
 925           my = (atom.y-CAy);
 926           mz = (atom.z-CAz);
 927           norm=Math.sqrt(mx*mx+my*my+mz*mz);
 928           res=atom.resname;
 929           var longaxis=resdb[res][4]
 930           var shortaxis=resdb[res][3]
 931           mx = mx /norm*longaxis;
 932           my = my /norm*longaxis;
 933           mz = mz /norm*longaxis;
 934           resn=res+atom.resno
 935           shape.addEllipsoid([ atom.x, atom.y, atom.z ],
 936               [ resdb[res][0], resdb[res][1], resdb[res][2]],
 937               shortaxis, [ mx, my, mz ], [ 0, shortaxis, 0 ],resn);
 938          }
 939        });
 940        var shapeComp = stage_unres.addComponentFromObject(shape)
 941        shapeComp.addRepresentation("buffer")
 942        o.autoView();
 943 });
 944
 945
 946
 947 var stage = new NGL.Stage("viewport_min");
 948 stage.setParameters( { backgroundColor: "white" } );
 949 Promise.all([
 950   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb" ,{defaultRepresentation: false}) .then( function( o ){
 951      o.addRepresentation( "backbone",{ color:
 952        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 953      })
 954      o.addRepresentation( "licorice",{ color:
 955        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange","red"]
 956      })
 957      return o
 958   }),
 959
 960   stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik.pdb",{defaultRepresentation: false}) .then( function( o ){
 961      o.addRepresentation( "backbone",{ name: "allatom", color:
 962        "residueindex",colorScale:["blue","cyan", "green","yellow","orange", "red"]
 963      })
 964      o.addRepresentation( "line",{ name: "allatomsc", color:
 965        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 966        ,sele:"not hydrogen and sidechainAttached"
 967      })
 968      return o
 969   })
 970 ]).then(function (ol) {
 971    ol[ 0 ].superpose(ol[ 1 ], false, ".CA")
 972    ol[ 0 ].autoView()
 973 })
 974
 975 var allatom=true;
 976 var side=true;
 977 var toggleAll = document.getElementById( "toggleAllatom" );
 978 toggleAll.addEventListener( "click", function(){
 979                         allatom=! allatom;
 980                         stage.getRepresentationsByName(
 981                                 "allatom" ).list.forEach( function( repre ){
 982                                 repre.setVisibility( !repre.visible );
 983                         } );
 984             if (side) {
 985                         stage.getRepresentationsByName(
 986                                 "allatomsc" ).list.forEach( function( repre ){
 987                                 repre.setVisibility( !repre.visible );
 988                         } );
 989             }
 990 } );
 991 var toggleSidechains = document.getElementById("toggleSidechains2" );
 992 toggleSidechains.addEventListener( "click", function(){
 993           side=!side;
 994           if (allatom) {
 995                 stage.getRepresentationsByName(
 996                         "allatomsc" ).list.forEach( function( repre ){
 997                                 repre.setVisibility( !repre.visible );
 998                 } );
 999
1000           }
1001           stage.getRepresentationsByName("licorice").list.forEach( function( repre ){
1002                 repre.setVisibility( !repre.visible );
1003           } );
1004
1005 } );
1006 </script>
1007 {% endif %}
1008
1009 {% if task.type == "md" and task.md_start == "pdbstart" %}
1010 <script>
1011 window.addEventListener("resize",
1012      function (event) {
1013      stage.handleResize();
1014      },false);
1015
1016 var stage = new NGL.Stage("viewport_putty");
1017 stage.setParameters( { backgroundColor: "white" } );
1018
1019 var tooltip = document.createElement("div")
1020 Object.assign(tooltip.style, {
1021   display: "none",
1022   position: "fixed",
1023   zIndex: 10,
1024   pointerEvents: "none",
1025   backgroundColor: "rgba( 0, 0, 0, 0.6 )",
1026   color: "lightgrey",
1027   padding: "8px",
1028   fontFamily: "sans-serif"
1029 })
1030 document.body.appendChild(tooltip)
1031
1032 stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik_bf.pdb", {defaultRepresentation: false}).then
1033        (function ( o ){
1034        o.addRepresentation("tube",{ color: "bfactor" , scale: 0.25,
1035        sele: "backbone",
1036        radius:"bfactor",
1037        colorScale:["blue","cyan", "green", "yellow","orange", "red"] });
1038        o.addRepresentation("licorice",{sele:"sidechainAttached and CYS and not hydrogen"});
1039        o.autoView();
1040 })
1041
1042 // remove default hoverPick mouse action
1043 stage.mouseControls.remove("hoverPick")
1044
1045 stage.signals.hovered.add(function (pickingProxy) {
1046   if (pickingProxy && (pickingProxy.atom || pickingProxy.bond)) {
1047     var atom = pickingProxy.atom || pickingProxy.closestBondAtom
1048     var mp = pickingProxy.mouse.position
1049     var bf= atom.bfactor.toFixed(2)
1050     tooltip.innerText = atom.qualifiedName()+" Fluctuation="+ bf
1051     tooltip.style.bottom = window.innerHeight - mp.y + 3 + "px"
1052     tooltip.style.left = mp.x + 3 + "px"
1053     tooltip.style.display = "block"
1054   } else {
1055     tooltip.style.display = "none"
1056   }
1057 })
1058 </script>
1059 {% endif %}
1060
1061 {% if task.type == "md" and task.md_mdpdb %}
1062 <script>
1063 window.addEventListener("resize",
1064      function (event) {
1065      stage.handleResize();
1066      },false);
1067
1068       var stage = new NGL.Stage("viewport_traj");
1069       stage.setParameters( { backgroundColor: "white" } );
1070       stage.setParameters( { cameraType: "orthographic" } );
1071       var traj;
1072       var player;
1073       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_MD000.pdb", {
1074        asTrajectory: true } ) .then( function( o ){
1075         o.setName ("unres_md");
1076         o.addRepresentation( "backbone",{ color:
1077        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1078         });
1079         o.addRepresentation( "licorice",{ color:
1080        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1081         });
1082         o.setPosition([0, 0, 100]);
1083         o.autoView();
1084         o.addTrajectory();
1085       });
1086
1087             var toggleSidechains = document.getElementById( "toggleSidechains1" );
1088             toggleSidechains.addEventListener( "click", function(){
1089                                                         stage.getRepresentationsByName( "licorice" ).list.forEach( function( repre ){
1090                                                                         repre.setVisibility( !repre.visible );
1091                                                         } );
1092             } );
1093
1094
1095       function numberWithCommas(x) {
1096                 return x.toString().replace(/\B(?=(\d{3})+(?!\d))/g, ",");
1097       }
1098       var toggleRunMDs = document.getElementById( "toggleRunMDs" );
1099       var isRunning = false;
1100       toggleRunMDs.addEventListener( "click", function(){
1101          var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1102          var player = new NGL.TrajectoryPlayer(trajComp.trajectory, {timeout: 10, mode: "once"});
1103                                 if( !isRunning ){
1104                                         player.play();
1105                                         isRunning = true;
1106
1107                     trajComp.signals.frameChanged.add(function(){
1108                       var fnum=trajComp.trajectory.currentFrame+1;
1109                       clipRange.value = fnum;
1110                       clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
1111                     });
1112
1113                                 }else{
1114                                         player.play();
1115                                         player.pause();
1116                                         isRunning = false;
1117                                 }
1118       } );
1119       var clipRange = document.getElementById( "clipRange" );
1120       var clipRange_val = document.getElementById( "clipRange_val" );
1121       clipRange.oninput = function( e ){
1122                 var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1123                 trajComp.setFrame(e.target.value-1)
1124                 clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
1125       };
1126
1127 </script>
1128 {% endif %}
1129
1130
1131 {% endblock %}