django_simple/todo/templates/details.html

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