1 {% extends "base.html" %}
4 <h3> All parameters for task <b>{{ task.name }}</b></h3>
5 Created {{ task.created_date }}
6 <ul class="list-group">
8 <li class="list-group-item task-item">
9 <div class="col-xs-10"> done ?</div>
10 <div class="col-xs-10">
12 <span class="fa fa-check-square-o"></span>
14 <span class="fa fa-square-o"></span>
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>
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>
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>
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>
40 {% if task.type == "min" %}
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
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>
124 {% if task.md_lang == "berendsen" %}
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>
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>
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>
146 {% if task.type == "remd" %}
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>
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>
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>
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>
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>
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>
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>
177 <li class="list-group-item task-item">
178 <div class="col-xs-10"> ntwe </div>
179 <div class="col-xs-10">{{ task.md_ntwe}}</div>
181 <li class="list-group-item task-item">
182 <div class="col-xs-10"> nstex </div>
183 <div class="col-xs-10">{{ task.remd_nstex}}</div>
185 <li class="list-group-item task-item">
186 <div class="col-xs-10"> ntwx </div>
187 <div class="col-xs-10">{{ task.md_ntwx}}</div>
189 <li class="list-group-item task-item">
190 <div class="col-xs-10"> dt </div>
191 <div class="col-xs-10">{{ task.md_dt}}</div>
193 <li class="list-group-item task-item">
194 <div class="col-xs-10"> thermostat </div>
195 <div class="col-xs-10">{{ task.md_lang}}</div>
198 {% if task.md_lang == "berendsen" %}
200 <li class="list-group-item task-item">
201 <div class="col-xs-10"> tau </div>
202 <div class="col-xs-10">{{ task.md_tau}}</div>
207 <li class="list-group-item task-item">
208 <div class="col-xs-10"> scal_fric </div>
209 <div class="col-xs-10">{{ task.md_scal_fric}}</div>
214 <li class="list-group-item task-item">
215 <div class="col-xs-10"> temperatures </div>
216 <div class="col-xs-10">{{ task.remd_multi_t}}</div>
218 <li class="list-group-item task-item">
219 <div class="col-xs-10"> multiplex </div>
220 <div class="col-xs-10">{{ task.remd_multi_m}}</div>
222 <li class="list-group-item task-item">
223 <div class="col-xs-10"> temperature for clustering</div>
224 <div class="col-xs-10">{{ task.remd_cluter_temp}}</div>
230 <li class="list-group-item task-item">
231 <div class="col-xs-10"> Box X Y Z</div>
232 <div class="col-xs-3">{{ task.boxx}}</div>
233 <div class="col-xs-3">{{ task.boxy}}</div>
234 <div class="col-xs-3">{{ task.boxz}}</div>
240 <li class="list-group-item task-item">
241 <div class="col-xs-10"> Directory </div>
242 <div class="col-xs-10">
243 <a href="/myfiles/list/{{task.jobdirname}}/">
244 {{ task.jobdirname }}
252 {% if task.type == "min" %}
254 <li class="list-group-item task-item">
255 <div class="col-xs-10"> Etot </div>
256 <div class="col-xs-10">{{ task.etot }}</div>
259 <li class="list-group-item task-item">
260 <div class="col-xs-10"> UNRES model </div>
261 <div class="col-xs-10">
263 href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
265 src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
266 width="500"></a> </div>
270 <li class="list-group-item task-item">
271 <div class="col-xs-10"> Structure overlap </div>
272 <div class="col-xs-10"> <img
273 src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
280 <li class="list-group-item task-item">
281 <div class="col-xs-10"> Results </div>
282 <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
285 {% if task.type == "md" %}
287 <li class="list-group-item task-item">
288 <div class="col-xs-10"> Temperature histogram </div>
289 <div class="col-xs-10"> <img
290 src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
294 <li class="list-group-item task-item">
295 <div class="col-xs-10"> Potential energy </div>
296 <div class="col-xs-10"> <img
297 src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
301 <li class="list-group-item task-item">
302 <div class="col-xs-10"> Movie </div>
303 <div class="col-xs-10">
305 <video width="500" height="400" preload controls>
307 src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
308 type="video/ogg; codecs=theora"> </source>
314 <li class="list-group-item task-item">
315 <div class="col-xs-10"> Radius of gyration based
316 on C<sup>α</sup> coordinates </div>
317 <div class="col-xs-10"> <img
318 src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
324 {% if task.md_pdbref %}
325 <li class="list-group-item task-item">
326 <div class="col-xs-10"> RMSD </div>
327 <div class="col-xs-10"> <img
328 src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
332 <li class="list-group-item task-item">
333 <div class="col-xs-10"> fraction of native
334 side-chain concacts </div>
335 <div class="col-xs-10"> <img
336 src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
342 {% if task.md_start == "pdbstart" %}
343 <li class="list-group-item task-item">
344 <div class="col-xs-10"> fluctuations </div>
345 <div class="col-xs-10"> <img
346 src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
350 <li class="list-group-item task-item">
351 <div class="col-xs-10"> fluctuations putty on
352 starting structure</div>
353 <div class="col-xs-10">
355 href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
357 src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
358 width="500"></a> </div>
367 {% if task.type == "remd" %}
369 <li class="list-group-item task-item">
370 <div class="col-xs-10"> Energy histogram </div>
371 <div class="col-xs-10"> <img
372 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
376 <li class="list-group-item task-item">
377 <div class="col-xs-10"> Energy vs. temperature </div>
378 <div class="col-xs-10"> <img
379 src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
383 <li class="list-group-item task-item">
384 <div class="col-xs-10"> Cv vs. temperature </div>
385 <div class="col-xs-10"> <img
386 src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
390 {% if task.md_pdbref %}
392 <li class="list-group-item task-item">
393 <div class="col-xs-10"> Average RMSD vs. temperature </div>
394 <div class="col-xs-10"> <img
395 src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
399 <li class="list-group-item task-item">
400 <div class="col-xs-10"> potential energy vs. RMSD</div>
401 <div class="col-xs-10"> <img
402 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
406 <li class="list-group-item task-item">
407 <div class="col-xs-10"> RMSD vs. step*replica
408 colored by bath temperature</div>
409 <div class="col-xs-10"> <img
410 src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
417 <li class="list-group-item task-item">
418 <div class="col-xs-10"> exchanges (walk in T) </div>
419 <div class="col-xs-10"> <img
420 src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
424 <li class="list-group-item task-item">
425 <div class="col-xs-10"> model1 after conversion
427 {{ task.remd_model1|linebreaks }}
429 <div class="col-xs-10">
431 href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
433 src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
436 <li class="list-group-item task-item">
437 <div class="col-xs-10"> model2 after conversion
439 {{ task.remd_model2|linebreaks }}
441 <div class="col-xs-10">
443 href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
445 src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
448 <li class="list-group-item task-item">
449 <div class="col-xs-10"> model3 after conversion
451 {{ task.remd_model3|linebreaks }}
453 <div class="col-xs-10">
455 href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
457 src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
460 <li class="list-group-item task-item">
461 <div class="col-xs-10"> model4 after conversion
463 {{ task.remd_model4|linebreaks }}
465 <div class="col-xs-10">
467 href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
469 src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
472 <li class="list-group-item task-item">
473 <div class="col-xs-10"> model5 after conversion
475 {{ task.remd_model5|linebreaks }}
477 <div class="col-xs-10">
479 href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
481 src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">