use pdbid to load pdb and set all examples
[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"> pdb code</div>
132                             <div class="col-xs-10">{{ task.pdbcode }}</div>
133                         </li>           
134                         <li class="list-group-item task-item">
135                             <div class="col-xs-10"> seed </div>
136                             <div class="col-xs-10">{{ task.md_seed}}</div>
137                         </li>           
138                         <li class="list-group-item task-item">
139                             <div class="col-xs-10"> pdbref </div>
140                             <div class="col-xs-10">{{ task.md_pdbref}}</div>
141                         </li>           
142                         <li class="list-group-item task-item">
143                             <div class="col-xs-10"> respa </div>
144                             <div class="col-xs-10">{{ task.md_respa}}</div>
145                         </li>           
146                         <li class="list-group-item task-item">
147                             <div class="col-xs-10"> temperature </div>
148                             <div class="col-xs-10">{{ task.md_temp}}</div>
149                         </li>           
150                         <li class="list-group-item task-item">
151                             <div class="col-xs-10"> nstep </div>
152                             <div class="col-xs-10">{{ task.md_nstep}}</div>
153                         </li>           
154                         <li class="list-group-item task-item">
155                             <div class="col-xs-10"> ntwe </div>
156                             <div class="col-xs-10">{{ task.md_ntwe}}</div>
157                         </li>           
158                         <li class="list-group-item task-item">
159                             <div class="col-xs-10"> ntwx </div>
160                             <div class="col-xs-10">{{ task.md_ntwx}}</div>
161                         </li>           
162                         <li class="list-group-item task-item">
163                             <div class="col-xs-10"> dt </div>
164                             <div class="col-xs-10">{{ task.md_dt}}</div>
165                         </li>           
166                         <li class="list-group-item task-item">
167                             <div class="col-xs-10"> thermostat </div>
168                             <div class="col-xs-10">{{ task.md_lang}}</div>
169                         </li>           
170                         
171                         {% if task.md_lang == "berendsen" %}
172                         
173                         <li class="list-group-item task-item">
174                             <div class="col-xs-10"> tau </div>
175                             <div class="col-xs-10">{{ task.md_tau}}</div>
176                         </li>           
177                         
178                         {% else %}
179                         
180                         <li class="list-group-item task-item">
181                             <div class="col-xs-10"> scal_fric </div>
182                             <div class="col-xs-10">{{ task.md_scal_fric}}</div>
183                         </li>   
184                         
185                         {% endif %}
186                                 
187                         <li class="list-group-item task-item">
188                             <div class="col-xs-10"> mdpdb </div>
189                             <div class="col-xs-10">{{ task.md_mdpdb}}</div>
190                         </li>           
191         {% endif %}
192
193         {% if task.type == "remd" %}
194
195                         <li class="list-group-item task-item">
196                             <div class="col-xs-10"> nrep </div>
197                             <div class="col-xs-10">{{ task.remd_nrep}}</div>
198                         </li>           
199                         <li class="list-group-item task-item">
200                             <div class="col-xs-10"> starting </div>
201                             <div class="col-xs-10">{{ task.md_start}}</div>
202                         </li>           
203                         
204                         <li class="list-group-item task-item">
205                             <div class="col-xs-10"> input pdb </div>
206                             <div class="col-xs-10">{{ task.myfile1 }}</div>
207                         </li>           
208                         <li class="list-group-item task-item">
209                             <div class="col-xs-10"> pdb code</div>
210                             <div class="col-xs-10">{{ task.pdbcode }}</div>
211                         </li>           
212                         <li class="list-group-item task-item">
213                             <div class="col-xs-10"> seed </div>
214                             <div class="col-xs-10">{{ task.md_seed}}</div>
215                         </li>           
216                         <li class="list-group-item task-item">
217                             <div class="col-xs-10"> pdbref </div>
218                             <div class="col-xs-10">{{ task.md_pdbref}}</div>
219                         </li>           
220                         <li class="list-group-item task-item">
221                             <div class="col-xs-10"> respa </div>
222                             <div class="col-xs-10">{{ task.md_respa}}</div>
223                         </li>           
224                         <li class="list-group-item task-item">
225                             <div class="col-xs-10"> nstep </div>
226                             <div class="col-xs-10">{{ task.md_nstep}}</div>
227                         </li>           
228                         <li class="list-group-item task-item">
229                             <div class="col-xs-10"> ntwe </div>
230                             <div class="col-xs-10">{{ task.md_ntwe}}</div>
231                         </li>           
232                         <li class="list-group-item task-item">
233                             <div class="col-xs-10"> nstex </div>
234                             <div class="col-xs-10">{{ task.remd_nstex}}</div>
235                         </li>           
236                         <li class="list-group-item task-item">
237                             <div class="col-xs-10"> ntwx </div>
238                             <div class="col-xs-10">{{ task.md_ntwx}}</div>
239                         </li>                                   
240                         <li class="list-group-item task-item">
241                             <div class="col-xs-10"> dt </div>
242                             <div class="col-xs-10">{{ task.md_dt}}</div>
243                         </li>           
244                         <li class="list-group-item task-item">
245                             <div class="col-xs-10"> thermostat </div>
246                             <div class="col-xs-10">{{ task.md_lang}}</div>
247                         </li>           
248                         
249                         {% if task.md_lang == "berendsen" %}
250                         
251                         <li class="list-group-item task-item">
252                             <div class="col-xs-10"> tau </div>
253                             <div class="col-xs-10">{{ task.md_tau}}</div>
254                         </li>           
255                         
256                         {% else %}
257                         
258                         <li class="list-group-item task-item">
259                             <div class="col-xs-10"> scal_fric </div>
260                             <div class="col-xs-10">{{ task.md_scal_fric}}</div>
261                         </li>   
262                         
263                         {% endif %}
264                                 
265                         <li class="list-group-item task-item">
266                             <div class="col-xs-10"> temperatures </div>
267                             <div class="col-xs-10">{{ task.remd_multi_t}}</div>
268                         </li>           
269                         <li class="list-group-item task-item">
270                             <div class="col-xs-10"> multiplex </div>
271                             <div class="col-xs-10">{{ task.remd_multi_m}}</div>
272                         </li>           
273                         <li class="list-group-item task-item">
274                             <div class="col-xs-10"> temperature for clustering</div>
275                             <div class="col-xs-10">{{ task.remd_cluter_temp}}</div>
276                         </li>           
277
278
279         {% endif %}
280
281                         <li class="list-group-item task-item">
282                             <div class="col-xs-10"> Box X Y Z</div>
283                             <div class="col-xs-3">{{ task.boxx}}</div>
284                             <div class="col-xs-3">{{ task.boxy}}</div>                      
285                             <div class="col-xs-3">{{ task.boxz}}</div>                      
286                         </li>           
287
288
289         <p>
290         <h3> Results </h3>
291                         <li class="list-group-item task-item">
292                             <div class="col-xs-10"> Directory </div>
293                             <div class="col-xs-10">
294                             <a href="/myfiles/list/{{task.jobdirname}}/">
295                             {{ task.jobdirname }}
296                             </a>
297                             </div>
298                         </li>           
299
300
301         {% if task.done %}
302                         
303                         {% if task.type == "min" %}
304                         
305                         <li class="list-group-item task-item">
306                             <div class="col-xs-10"> Etot </div>
307                             <div class="col-xs-10">{{ task.etot }}</div>
308                         </li>           
309                         
310                         <li class="list-group-item task-item">
311                           <div class="col-xs-10"> UNRES model </div>
312                           <div class="col-xs-10"> 
313                           <a
314                            href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
315                           <img 
316                           src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
317                           width="500"></a> </div>
318                         </li>
319
320
321                         <li class="list-group-item task-item">
322                           <div class="col-xs-10"> Structure overlap </div>
323                           <div class="col-xs-10"> <img 
324                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
325                           width="500"> </div>
326                         </li>
327
328
329                         {% endif %}
330
331                         <li class="list-group-item task-item">
332                             <div class="col-xs-10"> Results </div>
333                             <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
334                         </li>           
335                         
336                         {% if task.type == "md" %}
337
338                         <li class="list-group-item task-item">
339                           <div class="col-xs-10"> Temperature histogram </div>
340                           <div class="col-xs-10"> <img 
341                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
342                           width="500"> </div>
343                         </li>
344
345                         <li class="list-group-item task-item">
346                           <div class="col-xs-10"> Potential energy </div>
347                           <div class="col-xs-10"> <img 
348                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
349                           width="500"> </div>
350                         </li>
351
352                             <li class="list-group-item task-item">
353                             <div class="col-xs-10"> Movie </div>
354                             <div class="col-xs-10"> 
355
356                             <video width="500" height="400" preload controls>
357                             <source
358                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
359                             type="video/ogg; codecs=theora"> </source>
360                             </video>
361                           
362                             </div>
363                             </li>
364                             
365                         <li class="list-group-item task-item">
366                           <div class="col-xs-10"> Radius of gyration based
367                           on C<sup>α</sup> coordinates </div>
368                           <div class="col-xs-10"> <img 
369                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
370                           width="500"> </div>
371                         </li>
372                             
373
374                 
375                            {% if task.md_pdbref %}
376                         <li class="list-group-item task-item">
377                           <div class="col-xs-10"> RMSD </div>
378                           <div class="col-xs-10"> <img 
379                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
380                           width="500"> </div>
381                         </li>
382
383                         <li class="list-group-item task-item">
384                           <div class="col-xs-10"> fraction of native
385                           side-chain concacts </div>
386                           <div class="col-xs-10"> <img 
387                           src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
388                           width="500"> </div>
389                         </li>
390                         
391                            {% endif %}
392
393                            {% if task.md_start == "pdbstart" %}
394                         <li class="list-group-item task-item">
395                           <div class="col-xs-10"> fluctuations </div>
396                           <div class="col-xs-10"> <img 
397                           src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
398                           width="500"> </div>
399                         </li>
400
401                         <li class="list-group-item task-item">
402                           <div class="col-xs-10"> fluctuations putty on
403                           starting structure</div>
404                           <div class="col-xs-10"> 
405                           <a
406                           href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
407                           <img 
408                           src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
409                           width="500"></a> </div>
410                         </li>
411                         
412                            {% endif %}
413
414
415
416                         {% endif %}
417                         
418                         {% if task.type == "remd" %}
419                         
420                         <li class="list-group-item task-item">
421                           <div class="col-xs-10"> Energy histogram </div>
422                           <div class="col-xs-10"> <img 
423                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
424                           width="500"> </div>
425                         </li>
426
427                         <li class="list-group-item task-item">
428                           <div class="col-xs-10"> Energy vs. temperature </div>
429                           <div class="col-xs-10"> <img 
430                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
431                           width="500"> </div>
432                         </li>
433                         
434                         <li class="list-group-item task-item">
435                           <div class="col-xs-10"> Cv vs. temperature </div>
436                           <div class="col-xs-10"> <img 
437                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
438                           width="500"> </div>
439                         </li>
440                         
441                            {% if task.md_pdbref %}
442
443                         <li class="list-group-item task-item">
444                           <div class="col-xs-10"> Average RMSD vs. temperature </div>
445                           <div class="col-xs-10"> <img 
446                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
447                           width="500"> </div>
448                         </li>
449
450                         <li class="list-group-item task-item">
451                           <div class="col-xs-10"> potential energy vs. RMSD</div>
452                           <div class="col-xs-10"> <img 
453                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
454                           width="500"> </div>
455                         </li>
456
457                         <li class="list-group-item task-item">
458                           <div class="col-xs-10"> RMSD vs. step*replica
459                           colored by bath temperature</div>
460                           <div class="col-xs-10"> <img 
461                           src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
462                           width="500"> </div>
463                         </li>
464
465                         
466                            {% endif %} 
467                           
468                         <li class="list-group-item task-item">
469                           <div class="col-xs-10"> exchanges (walk in T) </div>
470                           <div class="col-xs-10"> <img 
471                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
472                           width="500"> </div>
473                         </li>
474
475                         <li class="list-group-item task-item">
476                           <div class="col-xs-10"> model1 after conversion
477                           to allatom 
478                           {{ task.remd_model1|linebreaks }}
479                           </div>
480                           <div class="col-xs-10"> 
481                           <a
482                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
483                           <img
484                           src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
485                           </a></div>
486                         </li>
487                         <li class="list-group-item task-item">
488                           <div class="col-xs-10"> model2 after conversion
489                           to allatom 
490                           {{ task.remd_model2|linebreaks }}
491                           </div>
492                           <div class="col-xs-10"> 
493                           <a
494                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
495                           <img
496                           src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
497                           </a></div>
498                         </li>
499                         <li class="list-group-item task-item">
500                           <div class="col-xs-10"> model3 after conversion
501                           to allatom 
502                           {{ task.remd_model3|linebreaks }}
503                           </div>
504                           <div class="col-xs-10"> 
505                           <a
506                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
507                           <img
508                           src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
509                           </a></div>
510                         </li>
511                         <li class="list-group-item task-item">
512                           <div class="col-xs-10"> model4 after conversion
513                           to allatom 
514                           {{ task.remd_model4|linebreaks }}
515                           </div>
516                           <div class="col-xs-10"> 
517                           <a
518                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
519                           <img
520                           src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
521                           </a></div>
522                         </li>
523                         <li class="list-group-item task-item">
524                           <div class="col-xs-10"> model5 after conversion
525                           to allatom 
526                           {{ task.remd_model5|linebreaks }}
527                           </div>
528                           <div class="col-xs-10"> 
529                           <a
530                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
531                           <img
532                           src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">
533                           </a></div>
534                         </li>
535
536                         
537                         {% endif %}
538
539         {% endif %}             
540
541         </ul>
542 {% endblock %}