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                         <li class="list-group-item task-item">
 365                           <div class="col-md-2"> UNRES model NGL viewer</div>
 366                           <div class="col-md-10" id="viewport_unres"
 367                           style="width:500px;height:500px;">
 368                           </div>
 369                         </li>
 370
 371
 372 <!--
 373                         <li class="list-group-item task-item">
 374                           <div class="col-md-2"> Structure overlap </div>
 375                           <div class="col-md-10"> <img
 376                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
 377                           width="500"> </div>
 378                         </li>
 379 -->
 380                         <li class="list-group-item task-item">
 381                           <div class="col-md-2"> Structure overlap NGL viewer</div>
 382                           <div class="col-md-10" id="viewport_min"
 383                           style="width:500px;height:500px;">
 384                           </div>
 385                         </li>
 386                         <li class="list-group-item task-item">
 387                <div class="col-md-12">
 388                <button id="toggleAllatom">Input structure on/off</button>
 389                <button id="toggleSidechains2">Side-chains on/off</button>
 390                </div>
 391                         </li>
 392                         {% endif %}
 393
 394                         <li class="list-group-item task-item">
 395                             <div class="col-md-2"> Results </div>
 396                             <div class="col-md-10">{{ task.results_text|linebreaks }}</div>
 397                         </li>
 398
 399                         {% if task.type == "md" %}
 400
 401                         <li class="list-group-item task-item">
 402                           <div class="col-md-2"> Temperature histogram </div>
 403                           <div class="col-md-10"> <img
 404                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
 405                           width="500"> </div>
 406                         </li>
 407
 408                         <li class="list-group-item task-item">
 409                           <div class="col-md-2"> Potential energy </div>
 410                           <div class="col-md-10"> <img
 411                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
 412                           width="500"> </div>
 413                         </li>
 414
 415                             <li class="list-group-item task-item">
 416                             <div class="col-md-2"> Movie </div>
 417                             <div class="col-md-10">
 418
 419                             <video width="500" height="400" preload controls>
 420                             <source
 421                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
 422                             type="video/ogg; codecs=theora"> </source>
 423                             </video>
 424
 425                             </div>
 426                             </li>
 427
 428 {% if task.md_mdpdb %}
 429                         <li class="list-group-item task-item">
 430                           <div class="col-md-2"> Trajectory NGL viewer</div>
 431                           <div class="col-md-10" id="viewport_traj"
 432                           style="width:500px;height:500px;">
 433                           </div>
 434                         </li>
 435                         <li class="list-group-item task-item">
 436                <div class="col-md-6">
 437 <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
 438 </div>
 439 <div class="col-md-6">
 440 <button id="toggleRunMDs">run/pause MD</button>
 441 <button id="toggleSidechains1">side-chains on/off</button>
 442 </div>
 443                         </li>
 444
 445 {% endif %}
 446
 447                         <li class="list-group-item task-item">
 448                           <div class="col-md-2"> Radius of gyration based
 449                           on C<sup>α</sup> coordinates </div>
 450                           <div class="col-md-10"> <img
 451                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
 452                           width="500"> </div>
 453                         </li>
 454
 455
 456
 457                            {% if task.md_pdbref %}
 458                         <li class="list-group-item task-item">
 459                           <div class="col-md-2"> RMSD </div>
 460                           <div class="col-md-10"> <img
 461                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
 462                           width="500"> </div>
 463                         </li>
 464
 465                         <li class="list-group-item task-item">
 466                           <div class="col-md-2"> fraction of native
 467                           side-chain concacts </div>
 468                           <div class="col-md-10"> <img
 469                           src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
 470                           width="500"> </div>
 471                         </li>
 472
 473                            {% endif %}
 474
 475                            {% if task.md_start == "pdbstart" %}
 476                         <li class="list-group-item task-item">
 477                           <div class="col-md-2"> fluctuations </div>
 478                           <div class="col-md-10"> <img
 479                           src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
 480                           width="500"> </div>
 481                         </li>
 482 <!--
 483                         <li class="list-group-item task-item">
 484                           <div class="col-md-2"> fluctuations putty on
 485                           starting structure</div>
 486                           <div class="col-md-10">
 487                           <a
 488                           href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
 489                           <img
 490                           src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
 491                           width="500"></a> </div>
 492                         </li>
 493 -->
 494                         <li class="list-group-item task-item">
 495                           <div class="col-md-2"> fluctuations putty on
 496                           starting structure NGL viewer</div>
 497                           <div class="col-md-10" id="viewport_putty"
 498                           style="width:500px;height:500px;">
 499                           </div>
 500                         </li>
 501
 502
 503                            {% endif %}
 504
 505
 506
 507                         {% endif %}
 508
 509                         {% if task.type == "remd" %}
 510
 511                         <li class="list-group-item task-item">
 512                           <div class="col-md-2"> Energy histogram </div>
 513                           <div class="col-md-10"> <img
 514                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
 515                           width="500"> </div>
 516                         </li>
 517
 518                         <li class="list-group-item task-item">
 519                           <div class="col-md-2"> Energy vs. temperature </div>
 520                           <div class="col-md-10"> <img
 521                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
 522                           width="500"> </div>
 523                         </li>
 524
 525                         <li class="list-group-item task-item">
 526                           <div class="col-md-2"> Cv vs. temperature </div>
 527                           <div class="col-md-10"> <img
 528                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
 529                           width="500"> </div>
 530                         </li>
 531
 532                            {% if task.md_pdbref %}
 533
 534                         <li class="list-group-item task-item">
 535                           <div class="col-md-2"> Average RMSD vs. temperature </div>
 536                           <div class="col-md-10"> <img
 537                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
 538                           width="500"> </div>
 539                         </li>
 540
 541                         <li class="list-group-item task-item">
 542                           <div class="col-md-2"> potential energy vs. RMSD</div>
 543                           <div class="col-md-10"> <img
 544                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
 545                           width="500"> </div>
 546                         </li>
 547
 548                         <li class="list-group-item task-item">
 549                           <div class="col-md-2"> RMSD vs. step*replica
 550                           colored by bath temperature</div>
 551                           <div class="col-md-10"> <img
 552                           src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
 553                           width="500"> </div>
 554                         </li>
 555
 556
 557                            {% endif %}
 558
 559                         <li class="list-group-item task-item">
 560                           <div class="col-md-2"> exchanges (walk in T) </div>
 561                           <div class="col-md-10"> <img
 562                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
 563                           width="500"> </div>
 564                         </li>
 565
 566                            {% if task.saxs_data != "" %}
 567                         <li class="list-group-item task-item">
 568                           <div class="col-md-2"> P(r) of input SAXS data and
 569                           calculated for 5 models and the input pdb</div>
 570                           <div class="col-md-10"> <img
 571                           src="/myfiles/download-file/{{task.jobdirname}}/saxs.png"
 572                           width="500"> </div>
 573                         </li>
 574                            {% endif %}
 575
 576         <li class="list-group-item task-item">
 577         <div class="col-md-4">
 578         <button onclick="plusDivs(-1)">&#10094;</button>
 579         </div>
 580         <div class="col-md-6">
 581         select model
 582         </div>
 583         <div class="col-md-2">
 584         <button onclick="plusDivs(1)">&#10095;</button>
 585         </div>
 586         </li>
 587
 588                         <div class="model">
 589 <!--                    <li class="list-group-item task-item">
 590                           <div class="col-md-2"> model1 after conversion
 591                           to allatom
 592                           {{ task.remd_model1|linebreaks }}
 593                           </div>
 594                           <div class="col-md-10">
 595                           <a
 596                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
 597                           <img
 598                           src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
 599                           </a></div>
 600                         </li> -->
 601                         <li class="list-group-item task-item">
 602                           <div class="col-md-2"> model1 after conversion
 603                           to allatom {{ task.remd_model1|linebreaks }}
 604                           NGL viewer</div>
 605                           <div class="col-md-10" id="viewport_M1"
 606                           style="width:500px;height:500px;">
 607                           </div>
 608                         </li>
 609                         <li class="list-group-item task-item">
 610                <div class="col-md-12">
 611                {% if task.md_pdbref %}
 612                <button id="toggleRefM1">Reference structure on/off</button>
 613                {% endif %}
 614                <button id="toggleSidechainsM1">Side-chains on/off</button>
 615                <a class="btn btn-default"
 616                href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">Download</a>
 617                </div>
 618                         </li>
 619
 620                         </div>
 621                         <div class="model">
 622 <!--                    <li class="list-group-item task-item">
 623                           <div class="col-md-2"> model2 after conversion
 624                           to allatom
 625                           {{ task.remd_model2|linebreaks }}
 626                           </div>
 627                           <div class="col-md-10">
 628                           <a
 629                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
 630                           <img
 631                           src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
 632                           </a></div>
 633                         </li> -->
 634                         <li class="list-group-item task-item">
 635                           <div class="col-md-2"> model2 after conversion
 636                           to allatom {{ task.remd_model2|linebreaks }}
 637                           NGL viewer</div>
 638                           <div class="col-md-10" id="viewport_M2"
 639                           style="width:500px;height:500px;">
 640                           </div>
 641                         </li>
 642                         <li class="list-group-item task-item">
 643                <div class="col-md-12">
 644                {% if task.md_pdbref %}
 645                <button id="toggleRefM2">Reference structure on/off</button>
 646                {% endif %}
 647                <button id="toggleSidechainsM2">Side-chains on/off</button>
 648                <a class="btn btn-default"
 649                href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">Download</a>
 650                </div>
 651                         </li>
 652
 653
 654                         </div>
 655                         <div class="model">
 656 <!--                    <li class="list-group-item task-item">
 657                           <div class="col-md-2"> model3 after conversion
 658                           to allatom
 659                           {{ task.remd_model3|linebreaks }}
 660                           </div>
 661                           <div class="col-md-10">
 662                           <a
 663                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
 664                           <img
 665                           src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
 666                           </a></div>
 667                         </li>-->
 668                         <li class="list-group-item task-item">
 669                           <div class="col-md-2"> model3 after conversion
 670                           to allatom {{ task.remd_model3|linebreaks }}
 671                           NGL viewer</div>
 672                           <div class="col-md-10" id="viewport_M3"
 673                           style="width:500px;height:500px;">
 674                           </div>
 675                         </li>
 676                         <li class="list-group-item task-item">
 677                <div class="col-md-12">
 678                {% if task.md_pdbref %}
 679                <button id="toggleRefM3">Reference structure on/off</button>
 680                {% endif %}
 681                <button id="toggleSidechainsM3">Side-chains on/off</button>
 682                <a class="btn btn-default"
 683                href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">Download</a>
 684                </div>
 685                         </li>
 686
 687                         </div>
 688                         <div class="model">
 689 <!--                    <li class="list-group-item task-item">
 690                           <div class="col-md-2"> model4 after conversion
 691                           to allatom
 692                           {{ task.remd_model4|linebreaks }}
 693                           </div>
 694                           <div class="col-md-10">
 695                           <a
 696                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
 697                           <img
 698                           src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
 699                           </a></div>
 700                         </li>-->
 701                         <li class="list-group-item task-item">
 702                           <div class="col-md-2"> model4 after conversion
 703                           to allatom {{ task.remd_model4|linebreaks }}
 704                           NGL viewer</div>
 705                           <div class="col-md-10" id="viewport_M4"
 706                           style="width:500px;height:500px;">
 707                           </div>
 708                         </li>
 709                         <li class="list-group-item task-item">
 710                <div class="col-md-12">
 711                {% if task.md_pdbref %}
 712                <button id="toggleRefM4">Reference structure on/off</button>
 713                {% endif %}
 714                <button id="toggleSidechainsM4">Side-chains on/off</button>
 715                <a class="btn btn-default"
 716                href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">Download</a>
 717                </div>
 718                         </li>
 719
 720                         </div>
 721                         <div class="model">
 722 <!--                    <li class="list-group-item task-item">
 723                           <div class="col-md-2"> model5 after conversion
 724                           to allatom
 725                           {{ task.remd_model5|linebreaks }}
 726                           </div>
 727                           <div class="col-md-10">
 728                           <a
 729                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
 730                           <img
 731                           src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">
 732                           </a></div>
 733                         </li>-->
 734                         <li class="list-group-item task-item">
 735                           <div class="col-md-2"> model5 after conversion
 736                           to allatom {{ task.remd_model5|linebreaks }}
 737                           NGL viewer</div>
 738                           <div class="col-md-10" id="viewport_M5"
 739                           style="width:500px;height:500px;">
 740                           </div>
 741                         </li>
 742                         <li class="list-group-item task-item">
 743                <div class="col-md-12">
 744                {% if task.md_pdbref %}
 745                <button id="toggleRefM5">Reference structure on/off</button>
 746                {% endif %}
 747                <button id="toggleSidechainsM5">Side-chains on/off</button>
 748                <a class="btn btn-default"
 749                href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">Download</a>
 750                </div>
 751                         </li>
 752
 753                         </div>
 754                         {% endif %}
 755
 756         {% endif %}
 757
 758         </ul>
 759
 760 <script src="/static/jquery.min.js"></script>
 761 <script src="https://unpkg.com/ngl"></script>
 762
 763 <script>
 764 $('.majorpointslegend').click(function(){
 765     $(this.parentNode).find('.hiders').toggle();
 766     if($(this.parentNode).find('.majorpointslegend').text()=='Show input parameters'){
 767         $(this.parentNode).find('.majorpointslegend').text('Hide input parameters');
 768     }else{
 769         $(this.parentNode).find('.majorpointslegend').text('Show input parameters');
 770     }
 771 });
 772 </script>
 773
 774 {% if task.type == "remd" %}
 775 <script>
 776 function display_model(numstr){
 777
 778 {% if task.md_pdbref %}
 779   var stage = new NGL.Stage("viewport_M"+numstr);
 780   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 781   Promise.all([
 782       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/plik1.pdb" ,{defaultRepresentation: false}) .then( function( o ){
 783         o.addRepresentation( "cartoon",{ name:"ref", color:"grey"
 784         })
 785         o.addRepresentation( "line", {name:"refsc",visible: false,
 786          sele:"not hydrogen and sidechainAttached"
 787         })
 788         return o
 789       }),
 790       stage.loadFile(
 791       "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 792  {% if task.damino %}
 793         o.addRepresentation( "licorice",{ name: "unres", color:
 794                "residueindex",colorScale:["blue","cyan", "green",
 795                "yellow","orange", "red"], sele:".CA"
 796                        })
 797         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 798        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 799         , sele:"*" })
 800  {% else %}
 801         o.addRepresentation( "cartoon",{ name: "unres", color:
 802                "residueindex",colorScale:["blue","cyan", "green",
 803                "yellow","orange", "red"]
 804                        })
 805         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 806        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 807         , sele:"not hydrogen and sidechainAttached" })
 808  {% endif %}
 809         return o
 810       })
 811   ]).then(function (ol1) {
 812    ol1[ 1 ].superpose(ol1[ 0 ], false, ".CA")
 813    ol1[ 0 ].autoView()
 814   })
 815             var ref=true;
 816             var side=false;
 817             var toggleAll = document.getElementById( "toggleRefM"+numstr );
 818             toggleAll.addEventListener( "click", function(){
 819                         ref=! ref;
 820                         stage.getRepresentationsByName(
 821                                 "ref" ).list.forEach( function( repre ){
 822                                 repre.setVisibility( !repre.visible );
 823                         } );
 824                 if (side) {
 825                         stage.getRepresentationsByName(
 826                                 "refsc" ).list.forEach( function( repre ){
 827                                 repre.setVisibility( !repre.visible );
 828                         } );
 829                 }
 830
 831             } );
 832      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 833      toggleSidechains.addEventListener( "click", function(){
 834              side=!side;
 835              if (ref) {
 836                  stage.getRepresentationsByName(
 837                         "refsc" ).list.forEach( function( repre ){
 838                         repre.setVisibility( !repre.visible );
 839              } );
 840       }
 841       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 842                         repre.setVisibility( !repre.visible );
 843         } );
 844
 845       } );
 846 {% else %}
 847   var stage = new NGL.Stage("viewport_M"+numstr);
 848   stage.setParameters( { backgroundColor: "white",fogFar: 60, fogNear: 45 } );
 849   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/MODEL"+numstr+".pdb",{defaultRepresentation: false}) .then( function( o ){
 850  {% if task.damino %}
 851         o.addRepresentation( "licorice",{ name: "unres", color:
 852                "residueindex",colorScale:["blue","cyan", "green",
 853                "yellow","orange", "red"],sele:".CA"
 854                        });
 855         o.addRepresentation( "licorice",{ name: "unressc", visible: false, color:
 856        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 857         , sele:"*" });
 858  {% else %}
 859         o.addRepresentation( "cartoon",{ name: "unres", color:
 860                "residueindex",colorScale:["blue","cyan", "green",
 861                "yellow","orange", "red"]
 862                        });
 863         o.addRepresentation( "line",{ name: "unressc", visible: false, color:
 864        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
 865         , sele:"not hydrogen and sidechainAttached" });
 866  {% endif %}
 867         o.autoView();
 868   })
 869      var toggleSidechains =document.getElementById("toggleSidechainsM"+numstr );
 870      toggleSidechains.addEventListener( "click", function(){
 871       stage.getRepresentationsByName("unressc").list.forEach( function( repre ){
 872                         repre.setVisibility( !repre.visible );
 873         } );
 874
 875       } );
 876
 877 {% endif %}
 878 }
 879
 880
 881 window.addEventListener("resize",
 882 function (event) {
 883       stage.handleResize();
 884 },false);
 885
 886
 887 display_model("1")
 888
 889
 890 var slideIndex = 1;
 891 var y = document.getElementsByClassName("model");
 892 var lista=[];
 893 var ii;
 894 for (ii = 0; ii < y.length; ii++) {
 895  lista.push(0)
 896 }
 897 lista[0]=1;
 898 showDivs(slideIndex);
 899
 900 function plusDivs(n) {
 901   showDivs(slideIndex += n);
 902 }
 903
 904 function showDivs(n) {
 905   var i;
 906   var x = document.getElementsByClassName("model");
 907   if (n > x.length) {slideIndex = 1}
 908   if (n < 1) {slideIndex = x.length}
 909   for (i = 0; i < x.length; i++) {
 910      x[i].style.display = "none";
 911   }
 912   x[slideIndex-1].style.display = "block";
 913
 914   if (lista[slideIndex-1] == 0 && slideIndex == 2) {
 915     display_model("2")
 916   }
 917
 918   if (lista[slideIndex-1] == 0 && slideIndex == 3) {
 919      display_model("3")
 920   }
 921
 922   if (lista[slideIndex-1] == 0 && slideIndex == 4) {
 923      display_model("4")
 924   }
 925
 926   if (lista[slideIndex-1] == 0 && slideIndex == 5) {
 927      display_model("5")
 928   }
 929
 930
 931   if (lista[slideIndex-1] == 0) {lista[slideIndex-1]=1}
 932 }
 933 </script>
 934 {% endif %}
 935
 936 {% if not task.done %}
 937 <script>
 938 function worker() {
 939   $.ajax({
 940     data:{csrfmiddlewaretoken: '{{ csrf_token }}'},
 941     url: "/refresh_done/",
 942     type:"post",
 943     success: function(data) {
 944       document.location.reload();
 945     },
 946     complete: function() {
 947       // Schedule the next request when the current one's complete
 948       setTimeout(worker, 30000);
 949     }
 950   });
 951 };
 952 $(document).ready(function() {
 953   // run the first time; all subsequent calls will take care of themselves
 954   setTimeout(worker, 30000);
 955 });
 956 </script>
 957 {% endif %}
 958
 959
 960 {% if task.type == "min" %}
 961 <script>
 962 window.addEventListener("resize",
 963      function (event) {
 964      stage.handleResize();
 965      },false);
 966
 967 var stage_unres = new NGL.Stage("viewport_unres");
 968 stage_unres.setParameters( { backgroundColor: "white" } );
 969 /**
 970 [color_Red, color_Green, color_Blue, ellipsoid_width, ellipsoid_length ]
 971 */
 972 var resdb = {   'CYS': [1.000, 1.000, 0.000, 1.33741, 2.96868],
 973                 'MET': [0.000, 1.000, 0.000, 1.36694, 3.08863],
 974                 'PHE': [0.000, 0.392, 0.000, 1.48323, 3.04238],
 975                 'ILE': [0.000, 1.000, 0.000, 1.44098, 3.17389],
 976                 'LEU': [0.000, 1.000, 0.000, 1.51054, 2.52078],
 977                 'VAL': [0.000, 1.000, 0.000, 1.42072, 2.68924],
 978                 'TRP': [0.000, 0.392, 0.000, 1.23867, 3.47403],
 979                 'TYR': [0.596, 0.984, 0.596, 1.23060, 3.35434],
 980                 'ALA': [0.000, 1.000, 0.000, 1.23266, 1.72686],
 981                 'GLY': [1.000, 1.000, 1.000, 1.24626, 1.11383],
 982                 'THR': [1.000, 0.000, 1.000, 1.28674, 2.59210],
 983                 'SER': [1.000, 0.000, 1.000, 1.22820, 1.68800],
 984                 'GLN': [1.000, 0.000, 1.000, 1.24239, 2.22201],
 985                 'ASN': [1.000, 0.000, 1.000, 1.24447, 2.24946],
 986                 'GLU': [1.000, 0.000, 0.000, 1.25448, 2.05551],
 987                 'ASP': [1.000, 0.000, 0.000, 1.25417, 1.77556],
 988                 'HIS': [1.000, 0.000, 1.000, 1.21103, 3.02627],
 989                 'ARG': [0.000, 0.000, 1.000, 1.13573, 3.25143],
 990                 'LYS': [0.000, 0.000, 1.000, 1.22604, 4.50054],
 991                 'PRO': [0.000, 1.000, 1.000, 1.35131, 2.20525]
 992                         };
 993 stage_unres.loadFile("/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb", {defaultRepresentation: false}).then
 994        (function ( o ){
 995        var shape = new NGL.Shape("shape")
 996        var chain = ""
 997        o.addRepresentation("licorice");
 998        o.structure.eachAtom(function(atom){
 999          if (atom.atomname == "CA" && atom.chainname == chain) {
1000           px=CAx+(atom.x-CAx)/2;
1001           py=CAy+(atom.y-CAy)/2;
1002           pz=CAz+(atom.z-CAz)/2;
1003           shape.addSphere([px,py,pz],[0.643, 0.933, 0.960],0.6,"p");
1004          }
1005          if (atom.atomname == "CA") {
1006          chain= atom.chainname
1007          CAx= atom.x;
1008          CAy= atom.y
1009          CAz= atom.z
1010          }
1011          if (atom.atomname == "CB") {
1012           mx = (atom.x-CAx);
1013           my = (atom.y-CAy);
1014           mz = (atom.z-CAz);
1015           norm=Math.sqrt(mx*mx+my*my+mz*mz);
1016           res=atom.resname;
1017           var longaxis=resdb[res][4]
1018           var shortaxis=resdb[res][3]
1019           mx = mx /norm*longaxis;
1020           my = my /norm*longaxis;
1021           mz = mz /norm*longaxis;
1022           resn=res+atom.resno
1023           shape.addEllipsoid([ atom.x, atom.y, atom.z ],
1024               [ resdb[res][0], resdb[res][1], resdb[res][2]],
1025               shortaxis, [ mx, my, mz ], [ 0, shortaxis, 0 ],resn);
1026          }
1027        });
1028        var shapeComp = stage_unres.addComponentFromObject(shape)
1029        shapeComp.addRepresentation("buffer")
1030        o.autoView();
1031 });
1032
1033
1034
1035 var stage = new NGL.Stage("viewport_min");
1036 stage.setParameters( { backgroundColor: "white" } );
1037 Promise.all([
1038   stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_GB000.pdb" ,{defaultRepresentation: false}) .then( function( o ){
1039      o.addRepresentation( "backbone",{ color:
1040        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1041      })
1042      o.addRepresentation( "licorice",{ color:
1043        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange","red"]
1044      })
1045      return o
1046   }),
1047
1048   stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik.pdb",{defaultRepresentation: false}) .then( function( o ){
1049      o.addRepresentation( "backbone",{ name: "allatom", color:
1050        "residueindex",colorScale:["blue","cyan", "green","yellow","orange", "red"]
1051      })
1052      o.addRepresentation( "line",{ name: "allatomsc", color:
1053        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1054        ,sele:"not hydrogen and sidechainAttached"
1055      })
1056      return o
1057   })
1058 ]).then(function (ol) {
1059    ol[ 0 ].superpose(ol[ 1 ], false, ".CA")
1060    ol[ 0 ].autoView()
1061 })
1062
1063 var allatom=true;
1064 var side=true;
1065 var toggleAll = document.getElementById( "toggleAllatom" );
1066 toggleAll.addEventListener( "click", function(){
1067                         allatom=! allatom;
1068                         stage.getRepresentationsByName(
1069                                 "allatom" ).list.forEach( function( repre ){
1070                                 repre.setVisibility( !repre.visible );
1071                         } );
1072             if (side) {
1073                         stage.getRepresentationsByName(
1074                                 "allatomsc" ).list.forEach( function( repre ){
1075                                 repre.setVisibility( !repre.visible );
1076                         } );
1077             }
1078 } );
1079 var toggleSidechains = document.getElementById("toggleSidechains2" );
1080 toggleSidechains.addEventListener( "click", function(){
1081           side=!side;
1082           if (allatom) {
1083                 stage.getRepresentationsByName(
1084                         "allatomsc" ).list.forEach( function( repre ){
1085                                 repre.setVisibility( !repre.visible );
1086                 } );
1087
1088           }
1089           stage.getRepresentationsByName("licorice").list.forEach( function( repre ){
1090                 repre.setVisibility( !repre.visible );
1091           } );
1092
1093 } );
1094 </script>
1095 {% endif %}
1096
1097 {% if task.type == "md" and task.md_start == "pdbstart" %}
1098 <script>
1099 window.addEventListener("resize",
1100      function (event) {
1101      stage.handleResize();
1102      },false);
1103
1104 var stage = new NGL.Stage("viewport_putty");
1105 stage.setParameters( { backgroundColor: "white" } );
1106
1107 var tooltip = document.createElement("div")
1108 Object.assign(tooltip.style, {
1109   display: "none",
1110   position: "fixed",
1111   zIndex: 10,
1112   pointerEvents: "none",
1113   backgroundColor: "rgba( 0, 0, 0, 0.6 )",
1114   color: "lightgrey",
1115   padding: "8px",
1116   fontFamily: "sans-serif"
1117 })
1118 document.body.appendChild(tooltip)
1119
1120 stage.loadFile("/myfiles/download-file/{{task.jobdirname}}/plik_bf.pdb", {defaultRepresentation: false}).then
1121        (function ( o ){
1122        o.addRepresentation("tube",{ color: "bfactor" , scale: 0.25,
1123        sele: "backbone",
1124        radius:"bfactor",
1125        colorScale:["blue","cyan", "green", "yellow","orange", "red"] });
1126        o.addRepresentation("licorice",{sele:"sidechainAttached and CYS and not hydrogen"});
1127        o.autoView();
1128 })
1129
1130 // remove default hoverPick mouse action
1131 stage.mouseControls.remove("hoverPick")
1132
1133 stage.signals.hovered.add(function (pickingProxy) {
1134   if (pickingProxy && (pickingProxy.atom || pickingProxy.bond)) {
1135     var atom = pickingProxy.atom || pickingProxy.closestBondAtom
1136     var mp = pickingProxy.mouse.position
1137     var bf= atom.bfactor.toFixed(2)
1138     tooltip.innerText = atom.qualifiedName()+" Fluctuation="+ bf
1139     tooltip.style.bottom = window.innerHeight - mp.y + 3 + "px"
1140     tooltip.style.left = mp.x + 3 + "px"
1141     tooltip.style.display = "block"
1142   } else {
1143     tooltip.style.display = "none"
1144   }
1145 })
1146 </script>
1147 {% endif %}
1148
1149 {% if task.type == "md" and task.md_mdpdb %}
1150 <script>
1151 window.addEventListener("resize",
1152      function (event) {
1153      stage.handleResize();
1154      },false);
1155
1156       var stage = new NGL.Stage("viewport_traj");
1157       stage.setParameters( { backgroundColor: "white" } );
1158       stage.setParameters( { cameraType: "orthographic" } );
1159       var traj;
1160       var player;
1161       stage.loadFile( "/myfiles/download-file/{{task.jobdirname}}/file_MD000.pdb", {
1162        asTrajectory: true } ) .then( function( o ){
1163         o.setName ("unres_md");
1164         o.addRepresentation( "backbone",{ color:
1165        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1166         });
1167         o.addRepresentation( "licorice",{ color:
1168        "residueindex",colorScale:["blue","cyan", "green", "yellow","orange", "red"]
1169         });
1170         o.autoView();
1171         o.addTrajectory();
1172       });
1173
1174             var toggleSidechains = document.getElementById( "toggleSidechains1" );
1175             toggleSidechains.addEventListener( "click", function(){
1176                                                         stage.getRepresentationsByName( "licorice" ).list.forEach( function( repre ){
1177                                                                         repre.setVisibility( !repre.visible );
1178                                                         } );
1179             } );
1180
1181
1182       function numberWithCommas(x) {
1183                 return x.toString().replace(/\B(?=(\d{3})+(?!\d))/g, ",");
1184       }
1185       var toggleRunMDs = document.getElementById( "toggleRunMDs" );
1186       var isRunning = false;
1187       toggleRunMDs.addEventListener( "click", function(){
1188          var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1189          var player = new NGL.TrajectoryPlayer(trajComp.trajectory, {timeout: 10, mode: "once"});
1190                                 if( !isRunning ){
1191                                         player.play();
1192                                         isRunning = true;
1193
1194                     trajComp.signals.frameChanged.add(function(){
1195                       var fnum=trajComp.trajectory.currentFrame;
1196                       clipRange.value = fnum;
1197                       clipRange_val.innerHTML = numberWithCommas(parseInt(clipRange.value*1));
1198                     });
1199
1200                                 }else{
1201                                         player.play();
1202                                         player.pause();
1203                                         isRunning = false;
1204                                 }
1205       } );
1206       var clipRange = document.getElementById( "clipRange" );
1207       var clipRange_val = document.getElementById( "clipRange_val" );
1208       clipRange.oninput = function( e ){
1209                 var trajComp = stage.getComponentsByName("unres_md").list[0].trajList[0];
1210                 trajComp.setFrame(e.target.value)
1211                 clipRange_val.innerHTML = numberWithCommas(parseInt(e.target.value*1));
1212       };
1213
1214 </script>
1215 {% endif %}
1216
1217
1218 {% endblock %}