new force field option
[django_unres.git] / django_simple / todo / templates / details.html
1 {% extends "base.html" %}
2
3 {% block content %}
4 <h3> All parameters for task <b>{{ task.name }}</b></h3>
5 Created {{ task.created_date  }}
6         <ul class="list-group">
7
8                         <li class="list-group-item task-item">
9                                 <div class="col-xs-10"> done ?</div>
10                                 <div class="col-xs-10">
11                                         {% if task.done %}
12                                                 <span class="fa fa-check-square-o"></span>
13                                         {% else %}
14                                                 <span class="fa fa-square-o"></span>
15                                         {% endif %}
16
17                                 </div>
18                         </li>   
19                         <li class="list-group-item task-item">
20                             <div class="col-xs-10"> type </div>
21                             <div class="col-xs-10">{{ task.type }}</div>
22                         </li>           
23          
24                         <li class="list-group-item task-item">
25                             <div class="col-xs-10"> force field </div>
26                             <div class="col-xs-10">{{ task.unres_ff }}</div>
27                         </li>           
28
29                         <li class="list-group-item task-item">
30                             <div class="col-xs-10"> sequence </div>
31                             <div class="col-xs-10">{{ task.md_seq}}</div>
32                         </li>           
33
34                         <li class="list-group-item task-item">
35                             <div class="col-xs-10"> SSBOND </div>
36                             <div class="col-xs-10">{{ task.ssbond}}</div>
37                         </li>           
38
39                         
40         {% if task.type == "min" %}
41
42
43                         <li class="list-group-item task-item">
44                             <div class="col-xs-10"> algorithm</div>
45                             <div class="col-xs-10">{{ task.min_choice }}</div>
46                         </li>           
47                         <li class="list-group-item task-item">
48                             <div class="col-xs-10"> overlap</div>
49                             <div class="col-xs-10">{{ task.min_overlap }}</div>
50                         </li>           
51                         <li class="list-group-item task-item">
52                             <div class="col-xs-10"> searchsc</div>
53                             <div class="col-xs-10">{{ task.min_searchsc }}</div>
54                         </li>           
55                         <li class="list-group-item task-item">
56                             <div class="col-xs-10"> maxmin</div>
57                             <div class="col-xs-10">{{ task.min_maxmin }}</div>
58                         </li>           
59                         <li class="list-group-item task-item">
60                             <div class="col-xs-10"> maxfun</div>
61                             <div class="col-xs-10">{{ task.min_maxfun }}</div>
62                         </li>           
63                         <li class="list-group-item task-item">
64                             <div class="col-xs-10"> pdbout</div>
65                             <div class="col-xs-10">{{ task.min_pdbout }}</div>
66                         </li>           
67                         <li class="list-group-item task-item">
68                             <div class="col-xs-10"> input pdb </div>
69                             <div class="col-xs-10">{{ task.myfile1 }}</div>
70                         </li>           
71                         <li class="list-group-item task-item">
72                             <div class="col-xs-10"> unres_pdb</div>
73                             <div class="col-xs-10">{{ task.min_unres_pdb }}</div>
74                         </li>           
75                         
76         {% endif %}
77         {% if task.type == "md" %}
78                         <li class="list-group-item task-item">
79                             <div class="col-xs-10"> starting </div>
80                             <div class="col-xs-10">{{ task.md_start}}</div>
81                         </li>           
82                         
83                         <li class="list-group-item task-item">
84                             <div class="col-xs-10"> input pdb </div>
85                             <div class="col-xs-10">{{ task.myfile1 }}</div>
86                         </li>           
87                         <li class="list-group-item task-item">
88                             <div class="col-xs-10"> seed </div>
89                             <div class="col-xs-10">{{ task.md_seed}}</div>
90                         </li>           
91                         <li class="list-group-item task-item">
92                             <div class="col-xs-10"> pdbref </div>
93                             <div class="col-xs-10">{{ task.md_pdbref}}</div>
94                         </li>           
95                         <li class="list-group-item task-item">
96                             <div class="col-xs-10"> respa </div>
97                             <div class="col-xs-10">{{ task.md_respa}}</div>
98                         </li>           
99                         <li class="list-group-item task-item">
100                             <div class="col-xs-10"> temperature </div>
101                             <div class="col-xs-10">{{ task.md_temp}}</div>
102                         </li>           
103                         <li class="list-group-item task-item">
104                             <div class="col-xs-10"> nstep </div>
105                             <div class="col-xs-10">{{ task.md_nstep}}</div>
106                         </li>           
107                         <li class="list-group-item task-item">
108                             <div class="col-xs-10"> ntwe </div>
109                             <div class="col-xs-10">{{ task.md_ntwe}}</div>
110                         </li>           
111                         <li class="list-group-item task-item">
112                             <div class="col-xs-10"> ntwx </div>
113                             <div class="col-xs-10">{{ task.md_ntwx}}</div>
114                         </li>           
115                         <li class="list-group-item task-item">
116                             <div class="col-xs-10"> dt </div>
117                             <div class="col-xs-10">{{ task.md_dt}}</div>
118                         </li>           
119                         <li class="list-group-item task-item">
120                             <div class="col-xs-10"> thermostat </div>
121                             <div class="col-xs-10">{{ task.md_lang}}</div>
122                         </li>           
123                         
124                         {% if task.md_lang == "berendsen" %}
125                         
126                         <li class="list-group-item task-item">
127                             <div class="col-xs-10"> tau </div>
128                             <div class="col-xs-10">{{ task.md_tau}}</div>
129                         </li>           
130                         
131                         {% else %}
132                         
133                         <li class="list-group-item task-item">
134                             <div class="col-xs-10"> scal_fric </div>
135                             <div class="col-xs-10">{{ task.md_scal_fric}}</div>
136                         </li>   
137                         
138                         {% endif %}
139                                 
140                         <li class="list-group-item task-item">
141                             <div class="col-xs-10"> mdpdb </div>
142                             <div class="col-xs-10">{{ task.md_mdpdb}}</div>
143                         </li>           
144         {% endif %}
145
146         {% if task.type == "remd" %}
147
148                         <li class="list-group-item task-item">
149                             <div class="col-xs-10"> nrep </div>
150                             <div class="col-xs-10">{{ task.remd_nrep}}</div>
151                         </li>           
152                         <li class="list-group-item task-item">
153                             <div class="col-xs-10"> starting </div>
154                             <div class="col-xs-10">{{ task.md_start}}</div>
155                         </li>           
156                         
157                         <li class="list-group-item task-item">
158                             <div class="col-xs-10"> input pdb </div>
159                             <div class="col-xs-10">{{ task.myfile1 }}</div>
160                         </li>           
161                         <li class="list-group-item task-item">
162                             <div class="col-xs-10"> seed </div>
163                             <div class="col-xs-10">{{ task.md_seed}}</div>
164                         </li>           
165                         <li class="list-group-item task-item">
166                             <div class="col-xs-10"> pdbref </div>
167                             <div class="col-xs-10">{{ task.md_pdbref}}</div>
168                         </li>           
169                         <li class="list-group-item task-item">
170                             <div class="col-xs-10"> respa </div>
171                             <div class="col-xs-10">{{ task.md_respa}}</div>
172                         </li>           
173                         <li class="list-group-item task-item">
174                             <div class="col-xs-10"> nstep </div>
175                             <div class="col-xs-10">{{ task.md_nstep}}</div>
176                         </li>           
177                         <li class="list-group-item task-item">
178                             <div class="col-xs-10"> nstex </div>
179                             <div class="col-xs-10">{{ task.remd_nstex}}</div>
180                         </li>           
181                         <li class="list-group-item task-item">
182                             <div class="col-xs-10"> dt </div>
183                             <div class="col-xs-10">{{ task.md_dt}}</div>
184                         </li>           
185                         <li class="list-group-item task-item">
186                             <div class="col-xs-10"> thermostat </div>
187                             <div class="col-xs-10">{{ task.md_lang}}</div>
188                         </li>           
189                         
190                         {% if task.md_lang == "berendsen" %}
191                         
192                         <li class="list-group-item task-item">
193                             <div class="col-xs-10"> tau </div>
194                             <div class="col-xs-10">{{ task.md_tau}}</div>
195                         </li>           
196                         
197                         {% else %}
198                         
199                         <li class="list-group-item task-item">
200                             <div class="col-xs-10"> scal_fric </div>
201                             <div class="col-xs-10">{{ task.md_scal_fric}}</div>
202                         </li>   
203                         
204                         {% endif %}
205                                 
206                         <li class="list-group-item task-item">
207                             <div class="col-xs-10"> temperatures </div>
208                             <div class="col-xs-10">{{ task.remd_multi_t}}</div>
209                         </li>           
210                         <li class="list-group-item task-item">
211                             <div class="col-xs-10"> multiplex </div>
212                             <div class="col-xs-10">{{ task.remd_multi_m}}</div>
213                         </li>           
214                         <li class="list-group-item task-item">
215                             <div class="col-xs-10"> temperature for clustering</div>
216                             <div class="col-xs-10">{{ task.remd_cluter_temp}}</div>
217                         </li>           
218
219
220         {% endif %}
221
222         <p>
223         <h3> Results </h3>
224                         <li class="list-group-item task-item">
225                             <div class="col-xs-10"> Directory </div>
226                             <div class="col-xs-10">
227                             <a href="/myfiles/list/{{task.jobdirname}}/">
228                             {{ task.jobdirname }}
229                             </a>
230                             </div>
231                         </li>           
232
233
234         {% if task.done %}
235                         
236                         {% if task.type == "min" %}
237                         
238                         <li class="list-group-item task-item">
239                             <div class="col-xs-10"> Etot </div>
240                             <div class="col-xs-10">{{ task.etot }}</div>
241                         </li>           
242                         
243                         <li class="list-group-item task-item">
244                           <div class="col-xs-10"> UNRES model </div>
245                           <div class="col-xs-10"> 
246                           <a
247                            href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
248                           <img 
249                           src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
250                           width="500"></a> </div>
251                         </li>
252
253
254                         <li class="list-group-item task-item">
255                           <div class="col-xs-10"> Structure overlap </div>
256                           <div class="col-xs-10"> <img 
257                           src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
258                           width="500"> </div>
259                         </li>
260
261
262                         {% endif %}
263
264                         <li class="list-group-item task-item">
265                             <div class="col-xs-10"> Results </div>
266                             <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
267                         </li>           
268                         
269                         {% if task.type == "md" %}
270
271                         <li class="list-group-item task-item">
272                           <div class="col-xs-10"> Temperature histogram </div>
273                           <div class="col-xs-10"> <img 
274                           src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
275                           width="500"> </div>
276                         </li>
277
278                         <li class="list-group-item task-item">
279                           <div class="col-xs-10"> Potential energy </div>
280                           <div class="col-xs-10"> <img 
281                           src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
282                           width="500"> </div>
283                         </li>
284
285                             <li class="list-group-item task-item">
286                             <div class="col-xs-10"> Movie </div>
287                             <div class="col-xs-10"> 
288
289                             <video width="500" height="400" preload controls>
290                             <source
291                             src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
292                             type="video/ogg; codecs=theora"> </source>
293                             </video>
294                           
295                             </div>
296                             </li>
297                             
298                         <li class="list-group-item task-item">
299                           <div class="col-xs-10"> Radius of gyration based
300                           on C<sup>α</sup> coordinates </div>
301                           <div class="col-xs-10"> <img 
302                           src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
303                           width="500"> </div>
304                         </li>
305                             
306
307                 
308                            {% if task.md_pdbref %}
309                         <li class="list-group-item task-item">
310                           <div class="col-xs-10"> RMSD </div>
311                           <div class="col-xs-10"> <img 
312                           src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
313                           width="500"> </div>
314                         </li>
315                         
316                            {% endif %}
317                         {% endif %}
318                         
319                         {% if task.type == "remd" %}
320                         
321                         <li class="list-group-item task-item">
322                           <div class="col-xs-10"> Energy histogram </div>
323                           <div class="col-xs-10"> <img 
324                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
325                           width="500"> </div>
326                         </li>
327
328                         <li class="list-group-item task-item">
329                           <div class="col-xs-10"> Energy vs. temperature </div>
330                           <div class="col-xs-10"> <img 
331                           src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
332                           width="500"> </div>
333                         </li>
334                         
335                         <li class="list-group-item task-item">
336                           <div class="col-xs-10"> Cv vs. temperature </div>
337                           <div class="col-xs-10"> <img 
338                           src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
339                           width="500"> </div>
340                         </li>
341                         
342                            {% if task.md_pdbref %}
343
344                         <li class="list-group-item task-item">
345                           <div class="col-xs-10"> Average RMSD vs. temperature </div>
346                           <div class="col-xs-10"> <img 
347                           src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
348                           width="500"> </div>
349                         </li>
350
351                         <li class="list-group-item task-item">
352                           <div class="col-xs-10"> potential energy vs. RMSD</div>
353                           <div class="col-xs-10"> <img 
354                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
355                           width="500"> </div>
356                         </li>
357
358                         
359                            {% endif %} 
360                           
361                         <li class="list-group-item task-item">
362                           <div class="col-xs-10"> exchanges (walk in T) </div>
363                           <div class="col-xs-10"> <img 
364                           src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
365                           width="500"> </div>
366                         </li>
367
368                         <li class="list-group-item task-item">
369                           <div class="col-xs-10"> model1 after conversion
370                           to allatom 
371                           {{ task.remd_model1|linebreaks }}
372                           </div>
373                           <div class="col-xs-10"> 
374                           <a
375                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
376                           <img
377                           src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
378                           </a></div>
379                         </li>
380                         <li class="list-group-item task-item">
381                           <div class="col-xs-10"> model2 after conversion
382                           to allatom 
383                           {{ task.remd_model2|linebreaks }}
384                           </div>
385                           <div class="col-xs-10"> 
386                           <a
387                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
388                           <img
389                           src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
390                           </a></div>
391                         </li>
392                         <li class="list-group-item task-item">
393                           <div class="col-xs-10"> model3 after conversion
394                           to allatom 
395                           {{ task.remd_model3|linebreaks }}
396                           </div>
397                           <div class="col-xs-10"> 
398                           <a
399                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
400                           <img
401                           src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
402                           </a></div>
403                         </li>
404                         <li class="list-group-item task-item">
405                           <div class="col-xs-10"> model4 after conversion
406                           to allatom 
407                           {{ task.remd_model4|linebreaks }}
408                           </div>
409                           <div class="col-xs-10"> 
410                           <a
411                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
412                           <img
413                           src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
414                           </a></div>
415                         </li>
416                         <li class="list-group-item task-item">
417                           <div class="col-xs-10"> model5 after conversion
418                           to allatom 
419                           {{ task.remd_model5|linebreaks }}
420                           </div>
421                           <div class="col-xs-10"> 
422                           <a
423                           href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
424                           <img
425                           src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">
426                           </a></div>
427                         </li>
428
429                         
430                         {% endif %}
431
432         {% endif %}             
433
434         </ul>
435 {% endblock %}