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