3945f846fad9f4346d73248b01124dc138d14f0e
[django_unres.git] / 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-xs-3 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-xs-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> All parameters for 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-xs-10"> done ?</div>
43                                 <div class="col-xs-10">
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                         <li class="list-group-item task-item">
59                             <div class="col-xs-10"> type </div>
60                             <div class="col-xs-10">{{ task.type }}</div>
61                         </li>           
62          
63                         <li class="list-group-item task-item">
64                             <div class="col-xs-10"> force field </div>
65                             <div class="col-xs-10">{{ task.unres_ff }}</div>
66                         </li>           
67
68                         <li class="list-group-item task-item">
69                             <div class="col-xs-10"> sequence </div>
70                             <div class="col-xs-10">{{ task.md_seq}}</div>
71                         </li>           
72
73                         <li class="list-group-item task-item">
74                             <div class="col-xs-10"> SSBOND </div>
75                             <div class="col-xs-10">{{ task.ssbond}}</div>
76                         </li>           
77
78                         
79         {% if task.type == "min" %}
80
81
82                         <li class="list-group-item task-item">
83                             <div class="col-xs-10"> algorithm</div>
84                             <div class="col-xs-10">{{ task.min_choice }}</div>
85                         </li>           
86                         <li class="list-group-item task-item">
87                             <div class="col-xs-10"> overlap</div>
88                             <div class="col-xs-10">{{ task.min_overlap }}</div>
89                         </li>           
90                         <li class="list-group-item task-item">
91                             <div class="col-xs-10"> searchsc</div>
92                             <div class="col-xs-10">{{ task.min_searchsc }}</div>
93                         </li>           
94                         <li class="list-group-item task-item">
95                             <div class="col-xs-10"> maxmin</div>
96                             <div class="col-xs-10">{{ task.min_maxmin }}</div>
97                         </li>           
98                         <li class="list-group-item task-item">
99                             <div class="col-xs-10"> maxfun</div>
100                             <div class="col-xs-10">{{ task.min_maxfun }}</div>
101                         </li>           
102                         <li class="list-group-item task-item">
103                             <div class="col-xs-10"> pdbout</div>
104                             <div class="col-xs-10">{{ task.min_pdbout }}</div>
105                         </li>           
106                         <li class="list-group-item task-item">
107                             <div class="col-xs-10"> input pdb </div>
108                             <div class="col-xs-10">{{ task.myfile1 }}</div>
109                         </li>           
110                         <li class="list-group-item task-item">
111                             <div class="col-xs-10"> pdb code</div>
112                             <div class="col-xs-10">{{ task.pdbcode }}</div>
113                         </li>           
114                         <li class="list-group-item task-item">
115                             <div class="col-xs-10"> unres_pdb</div>
116                             <div class="col-xs-10">{{ task.min_unres_pdb }}</div>
117                         </li>           
118                         
119         {% endif %}
120         {% if task.type == "md" %}
121                         <li class="list-group-item task-item">
122                             <div class="col-xs-10"> starting </div>
123                             <div class="col-xs-10">{{ task.md_start}}</div>
124                         </li>           
125                         
126                         <li class="list-group-item task-item">
127                             <div class="col-xs-10"> input pdb </div>
128                             <div class="col-xs-10">{{ task.myfile1 }}</div>
129                         </li>           
130                         <li class="list-group-item task-item">
131                             <div class="col-xs-10"> seed </div>
132                             <div class="col-xs-10">{{ task.md_seed}}</div>
133                         </li>           
134                         <li class="list-group-item task-item">
135                             <div class="col-xs-10"> pdbref </div>
136                             <div class="col-xs-10">{{ task.md_pdbref}}</div>
137                         </li>           
138                         <li class="list-group-item task-item">
139                             <div class="col-xs-10"> respa </div>
140                             <div class="col-xs-10">{{ task.md_respa}}</div>
141                         </li>           
142                         <li class="list-group-item task-item">
143                             <div class="col-xs-10"> temperature </div>
144                             <div class="col-xs-10">{{ task.md_temp}}</div>
145                         </li>           
146                         <li class="list-group-item task-item">
147                             <div class="col-xs-10"> nstep </div>
148                             <div class="col-xs-10">{{ task.md_nstep}}</div>
149                         </li>           
150                         <li class="list-group-item task-item">
151                             <div class="col-xs-10"> ntwe </div>
152                             <div class="col-xs-10">{{ task.md_ntwe}}</div>
153                         </li>           
154                         <li class="list-group-item task-item">
155                             <div class="col-xs-10"> ntwx </div>
156                             <div class="col-xs-10">{{ task.md_ntwx}}</div>
157                         </li>           
158                         <li class="list-group-item task-item">
159                             <div class="col-xs-10"> dt </div>
160                             <div class="col-xs-10">{{ task.md_dt}}</div>
161                         </li>           
162                         <li class="list-group-item task-item">
163                             <div class="col-xs-10"> thermostat </div>
164                             <div class="col-xs-10">{{ task.md_lang}}</div>
165                         </li>           
166                         
167                         {% if task.md_lang == "berendsen" %}
168                         
169                         <li class="list-group-item task-item">
170                             <div class="col-xs-10"> tau </div>
171                             <div class="col-xs-10">{{ task.md_tau}}</div>
172                         </li>           
173                         
174                         {% else %}
175                         
176                         <li class="list-group-item task-item">
177                             <div class="col-xs-10"> scal_fric </div>
178                             <div class="col-xs-10">{{ task.md_scal_fric}}</div>
179                         </li>   
180                         
181                         {% endif %}
182                                 
183                         <li class="list-group-item task-item">
184                             <div class="col-xs-10"> mdpdb </div>
185                             <div class="col-xs-10">{{ task.md_mdpdb}}</div>
186                         </li>           
187         {% endif %}
188
189         {% if task.type == "remd" %}
190
191                         <li class="list-group-item task-item">
192                             <div class="col-xs-10"> nrep </div>
193                             <div class="col-xs-10">{{ task.remd_nrep}}</div>
194                         </li>           
195                         <li class="list-group-item task-item">
196                             <div class="col-xs-10"> starting </div>
197                             <div class="col-xs-10">{{ task.md_start}}</div>
198                         </li>           
199                         
200                         <li class="list-group-item task-item">
201                             <div class="col-xs-10"> input pdb </div>
202                             <div class="col-xs-10">{{ task.myfile1 }}</div>
203                         </li>           
204                         <li class="list-group-item task-item">
205                             <div class="col-xs-10"> seed </div>
206                             <div class="col-xs-10">{{ task.md_seed}}</div>
207                         </li>           
208                         <li class="list-group-item task-item">
209                             <div class="col-xs-10"> pdbref </div>
210                             <div class="col-xs-10">{{ task.md_pdbref}}</div>
211                         </li>           
212                         <li class="list-group-item task-item">
213                             <div class="col-xs-10"> respa </div>
214                             <div class="col-xs-10">{{ task.md_respa}}</div>
215                         </li>           
216                         <li class="list-group-item task-item">
217                             <div class="col-xs-10"> nstep </div>
218                             <div class="col-xs-10">{{ task.md_nstep}}</div>
219                         </li>           
220                         <li class="list-group-item task-item">
221                             <div class="col-xs-10"> ntwe </div>
222                             <div class="col-xs-10">{{ task.md_ntwe}}</div>
223                         </li>           
224                         <li class="list-group-item task-item">
225                             <div class="col-xs-10"> nstex </div>
226                             <div class="col-xs-10">{{ task.remd_nstex}}</div>
227                         </li>           
228                         <li class="list-group-item task-item">
229                             <div class="col-xs-10"> ntwx </div>
230                             <div class="col-xs-10">{{ task.md_ntwx}}</div>
231                         </li>                                   
232                         <li class="list-group-item task-item">
233                             <div class="col-xs-10"> dt </div>
234                             <div class="col-xs-10">{{ task.md_dt}}</div>
235                         </li>           
236                         <li class="list-group-item task-item">
237                             <div class="col-xs-10"> thermostat </div>
238                             <div class="col-xs-10">{{ task.md_lang}}</div>
239                         </li>           
240                         
241                         {% if task.md_lang == "berendsen" %}
242                         
243                         <li class="list-group-item task-item">
244                             <div class="col-xs-10"> tau </div>
245                             <div class="col-xs-10">{{ task.md_tau}}</div>
246                         </li>           
247                         
248                         {% else %}
249                         
250                         <li class="list-group-item task-item">
251                             <div class="col-xs-10"> scal_fric </div>
252                             <div class="col-xs-10">{{ task.md_scal_fric}}</div>
253                         </li>   
254                         
255                         {% endif %}
256                                 
257                         <li class="list-group-item task-item">
258                             <div class="col-xs-10"> temperatures </div>
259                             <div class="col-xs-10">{{ task.remd_multi_t}}</div>
260                         </li>           
261                         <li class="list-group-item task-item">
262                             <div class="col-xs-10"> multiplex </div>
263                             <div class="col-xs-10">{{ task.remd_multi_m}}</div>
264                         </li>           
265                         <li class="list-group-item task-item">
266                             <div class="col-xs-10"> temperature for clustering</div>
267                             <div class="col-xs-10">{{ task.remd_cluter_temp}}</div>
268                         </li>           
269
270
271         {% endif %}
272
273                         <li class="list-group-item task-item">
274                             <div class="col-xs-10"> Box X Y Z</div>
275                             <div class="col-xs-3">{{ task.boxx}}</div>
276                             <div class="col-xs-3">{{ task.boxy}}</div>                      
277                             <div class="col-xs-3">{{ task.boxz}}</div>                      
278                         </li>           
279
280
281         <p>
282         <h3> Results </h3>
283                         <li class="list-group-item task-item">
284                             <div class="col-xs-10"> Directory </div>
285                             <div class="col-xs-10">
286                             <a href="/myfiles/list/{{task.jobdirname}}/">
287                             {{ task.jobdirname }}
288                             </a>
289                             </div>
290                         </li>           
291
292
293         {% if task.done %}
294                         
295                         {% if task.type == "min" %}
296                         
297                         <li class="list-group-item task-item">
298                             <div class="col-xs-10"> Etot </div>
299                             <div class="col-xs-10">{{ task.etot }}</div>
300                         </li>           
301                         
302                         <li class="list-group-item task-item">
303                           <div class="col-xs-10"> UNRES model </div>
304                           <div class="col-xs-10"> 
305                           <a
306                            href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
307                           <img 
308                           src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
309                           width="500"></a> </div>
310                         </li>
311
312
313                         <li class="list-group-item task-item">
314                           <div class="col-xs-10"> Structure overlap </div>
315                           <div class="col-xs-10"> <img 
316                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
317                           width="500"> </div>
318                         </li>
319
320
321                         {% endif %}
322
323                         <li class="list-group-item task-item">
324                             <div class="col-xs-10"> Results </div>
325                             <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
326                         </li>           
327                         
328                         {% if task.type == "md" %}
329
330                         <li class="list-group-item task-item">
331                           <div class="col-xs-10"> Temperature histogram </div>
332                           <div class="col-xs-10"> <img 
333                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
334                           width="500"> </div>
335                         </li>
336
337                         <li class="list-group-item task-item">
338                           <div class="col-xs-10"> Potential energy </div>
339                           <div class="col-xs-10"> <img 
340                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
341                           width="500"> </div>
342                         </li>
343
344                             <li class="list-group-item task-item">
345                             <div class="col-xs-10"> Movie </div>
346                             <div class="col-xs-10"> 
347
348                             <video width="500" height="400" preload controls>
349                             <source
350                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
351                             type="video/ogg; codecs=theora"> </source>
352                             </video>
353                           
354                             </div>
355                             </li>
356                             
357                         <li class="list-group-item task-item">
358                           <div class="col-xs-10"> Radius of gyration based
359                           on C<sup>α</sup> coordinates </div>
360                           <div class="col-xs-10"> <img 
361                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
362                           width="500"> </div>
363                         </li>
364                             
365
366                 
367                            {% if task.md_pdbref %}
368                         <li class="list-group-item task-item">
369                           <div class="col-xs-10"> RMSD </div>
370                           <div class="col-xs-10"> <img 
371                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
372                           width="500"> </div>
373                         </li>
374
375                         <li class="list-group-item task-item">
376                           <div class="col-xs-10"> fraction of native
377                           side-chain concacts </div>
378                           <div class="col-xs-10"> <img 
379                           src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
380                           width="500"> </div>
381                         </li>
382                         
383                            {% endif %}
384
385                            {% if task.md_start == "pdbstart" %}
386                         <li class="list-group-item task-item">
387                           <div class="col-xs-10"> fluctuations </div>
388                           <div class="col-xs-10"> <img 
389                           src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
390                           width="500"> </div>
391                         </li>
392
393                         <li class="list-group-item task-item">
394                           <div class="col-xs-10"> fluctuations putty on
395                           starting structure</div>
396                           <div class="col-xs-10"> 
397                           <a
398                           href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
399                           <img 
400                           src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
401                           width="500"></a> </div>
402                         </li>
403                         
404                            {% endif %}
405
406
407
408                         {% endif %}
409                         
410                         {% if task.type == "remd" %}
411                         
412                         <li class="list-group-item task-item">
413                           <div class="col-xs-10"> Energy histogram </div>
414                           <div class="col-xs-10"> <img 
415                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
416                           width="500"> </div>
417                         </li>
418
419                         <li class="list-group-item task-item">
420                           <div class="col-xs-10"> Energy vs. temperature </div>
421                           <div class="col-xs-10"> <img 
422                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
423                           width="500"> </div>
424                         </li>
425                         
426                         <li class="list-group-item task-item">
427                           <div class="col-xs-10"> Cv vs. temperature </div>
428                           <div class="col-xs-10"> <img 
429                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
430                           width="500"> </div>
431                         </li>
432                         
433                            {% if task.md_pdbref %}
434
435                         <li class="list-group-item task-item">
436                           <div class="col-xs-10"> Average RMSD vs. temperature </div>
437                           <div class="col-xs-10"> <img 
438                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
439                           width="500"> </div>
440                         </li>
441
442                         <li class="list-group-item task-item">
443                           <div class="col-xs-10"> potential energy vs. RMSD</div>
444                           <div class="col-xs-10"> <img 
445                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
446                           width="500"> </div>
447                         </li>
448
449                         <li class="list-group-item task-item">
450                           <div class="col-xs-10"> RMSD vs. step*replica
451                           colored by bath temperature</div>
452                           <div class="col-xs-10"> <img 
453                           src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
454                           width="500"> </div>
455                         </li>
456
457                         
458                            {% endif %} 
459                           
460                         <li class="list-group-item task-item">
461                           <div class="col-xs-10"> exchanges (walk in T) </div>
462                           <div class="col-xs-10"> <img 
463                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
464                           width="500"> </div>
465                         </li>
466
467                         <li class="list-group-item task-item">
468                           <div class="col-xs-10"> model1 after conversion
469                           to allatom 
470                           {{ task.remd_model1|linebreaks }}
471                           </div>
472                           <div class="col-xs-10"> 
473                           <a
474                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
475                           <img
476                           src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
477                           </a></div>
478                         </li>
479                         <li class="list-group-item task-item">
480                           <div class="col-xs-10"> model2 after conversion
481                           to allatom 
482                           {{ task.remd_model2|linebreaks }}
483                           </div>
484                           <div class="col-xs-10"> 
485                           <a
486                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
487                           <img
488                           src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
489                           </a></div>
490                         </li>
491                         <li class="list-group-item task-item">
492                           <div class="col-xs-10"> model3 after conversion
493                           to allatom 
494                           {{ task.remd_model3|linebreaks }}
495                           </div>
496                           <div class="col-xs-10"> 
497                           <a
498                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
499                           <img
500                           src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
501                           </a></div>
502                         </li>
503                         <li class="list-group-item task-item">
504                           <div class="col-xs-10"> model4 after conversion
505                           to allatom 
506                           {{ task.remd_model4|linebreaks }}
507                           </div>
508                           <div class="col-xs-10"> 
509                           <a
510                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
511                           <img
512                           src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
513                           </a></div>
514                         </li>
515                         <li class="list-group-item task-item">
516                           <div class="col-xs-10"> model5 after conversion
517                           to allatom 
518                           {{ task.remd_model5|linebreaks }}
519                           </div>
520                           <div class="col-xs-10"> 
521                           <a
522                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
523                           <img
524                           src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">
525                           </a></div>
526                         </li>
527
528                         
529                         {% endif %}
530
531         {% endif %}             
532
533         </ul>
534 {% endblock %}