1 {% extends "base.html" %}
3 {% load i18n lazysignup_tags %}
6 {% if user|is_lazy_user %}
7 <ul class="list-group">
9 <li class="list-group-item new-task-item task-item">
11 <div class="col-xs-3 form-group">
12 <form action="/refresh_done/" method="post">
14 <input type="submit" class="btn" value="Refresh" name="refreshbtn">
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 %}
28 waiting in the queue to start
37 <h3> All parameters for task <b>{{ task.name }}</b></h3>
38 Created {{ task.created_date }}
39 <ul class="list-group">
41 <li class="list-group-item task-item">
42 <div class="col-xs-10"> done ?</div>
43 <div class="col-xs-10">
45 <span class="fa fa-check-square-o"></span>
47 {% if task.running > 0 %}
48 <span class="fa fa-spinner
52 <span class="fa fa-square-o"></span>
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>
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>
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>
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>
79 {% if task.type == "min" %}
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
167 {% if task.md_lang == "berendsen" %}
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>
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>
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>
189 {% if task.type == "remd" %}
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
241 {% if task.md_lang == "berendsen" %}
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>
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>
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>
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>
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>
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>
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 }}
295 {% if task.type == "min" %}
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>
302 <li class="list-group-item task-item">
303 <div class="col-xs-10"> UNRES model </div>
304 <div class="col-xs-10">
306 href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
308 src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
309 width="500"></a> </div>
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"
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>
328 {% if task.type == "md" %}
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"
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"
344 <li class="list-group-item task-item">
345 <div class="col-xs-10"> Movie </div>
346 <div class="col-xs-10">
348 <video width="500" height="400" preload controls>
350 src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
351 type="video/ogg; codecs=theora"> </source>
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"
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"
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"
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"
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">
398 href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
400 src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
401 width="500"></a> </div>
410 {% if task.type == "remd" %}
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"
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"
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"
433 {% if task.md_pdbref %}
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"
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"
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"
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"
467 <li class="list-group-item task-item">
468 <div class="col-xs-10"> model1 after conversion
470 {{ task.remd_model1|linebreaks }}
472 <div class="col-xs-10">
474 href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
476 src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
479 <li class="list-group-item task-item">
480 <div class="col-xs-10"> model2 after conversion
482 {{ task.remd_model2|linebreaks }}
484 <div class="col-xs-10">
486 href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
488 src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
491 <li class="list-group-item task-item">
492 <div class="col-xs-10"> model3 after conversion
494 {{ task.remd_model3|linebreaks }}
496 <div class="col-xs-10">
498 href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
500 src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
503 <li class="list-group-item task-item">
504 <div class="col-xs-10"> model4 after conversion
506 {{ task.remd_model4|linebreaks }}
508 <div class="col-xs-10">
510 href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
512 src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
515 <li class="list-group-item task-item">
516 <div class="col-xs-10"> model5 after conversion
518 {{ task.remd_model5|linebreaks }}
520 <div class="col-xs-10">
522 href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
524 src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">