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>
232 <li class="list-group-item task-item">
233 <div class="col-xs-10"> Directory </div>
234 <div class="col-xs-10">
235 <a href="/myfiles/list/{{task.jobdirname}}/">
236 {{ task.jobdirname }}
244 {% if task.type == "min" %}
246 <li class="list-group-item task-item">
247 <div class="col-xs-10"> Etot </div>
248 <div class="col-xs-10">{{ task.etot }}</div>
251 <li class="list-group-item task-item">
252 <div class="col-xs-10"> UNRES model </div>
253 <div class="col-xs-10">
255 href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
257 src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
258 width="500"></a> </div>
262 <li class="list-group-item task-item">
263 <div class="col-xs-10"> Structure overlap </div>
264 <div class="col-xs-10"> <img
265 src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
272 <li class="list-group-item task-item">
273 <div class="col-xs-10"> Results </div>
274 <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
277 {% if task.type == "md" %}
279 <li class="list-group-item task-item">
280 <div class="col-xs-10"> Temperature histogram </div>
281 <div class="col-xs-10"> <img
282 src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
286 <li class="list-group-item task-item">
287 <div class="col-xs-10"> Potential energy </div>
288 <div class="col-xs-10"> <img
289 src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
293 <li class="list-group-item task-item">
294 <div class="col-xs-10"> Movie </div>
295 <div class="col-xs-10">
297 <video width="500" height="400" preload controls>
299 src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
300 type="video/ogg; codecs=theora"> </source>
306 <li class="list-group-item task-item">
307 <div class="col-xs-10"> Radius of gyration based
308 on C<sup>α</sup> coordinates </div>
309 <div class="col-xs-10"> <img
310 src="/myfiles/download-file/{{task.jobdirname}}/md_gyr.png"
316 {% if task.md_pdbref %}
317 <li class="list-group-item task-item">
318 <div class="col-xs-10"> RMSD </div>
319 <div class="col-xs-10"> <img
320 src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
324 <li class="list-group-item task-item">
325 <div class="col-xs-10"> fraction of native
326 side-chain concacts </div>
327 <div class="col-xs-10"> <img
328 src="/myfiles/download-file/{{task.jobdirname}}/md_fracn.png"
334 {% if task.md_start == "pdbstart" %}
335 <li class="list-group-item task-item">
336 <div class="col-xs-10"> fluctuations </div>
337 <div class="col-xs-10"> <img
338 src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
342 <li class="list-group-item task-item">
343 <div class="col-xs-10"> fluctuations putty on
344 starting structure</div>
345 <div class="col-xs-10">
347 href="/myfiles/download-file/{{task.jobdirname}}/fluct.pse">
349 src="/myfiles/download-file/{{task.jobdirname}}/fluct.png"
350 width="500"></a> </div>
359 {% if task.type == "remd" %}
361 <li class="list-group-item task-item">
362 <div class="col-xs-10"> Energy histogram </div>
363 <div class="col-xs-10"> <img
364 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
368 <li class="list-group-item task-item">
369 <div class="col-xs-10"> Energy vs. temperature </div>
370 <div class="col-xs-10"> <img
371 src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
375 <li class="list-group-item task-item">
376 <div class="col-xs-10"> Cv vs. temperature </div>
377 <div class="col-xs-10"> <img
378 src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
382 {% if task.md_pdbref %}
384 <li class="list-group-item task-item">
385 <div class="col-xs-10"> Average RMSD vs. temperature </div>
386 <div class="col-xs-10"> <img
387 src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
391 <li class="list-group-item task-item">
392 <div class="col-xs-10"> potential energy vs. RMSD</div>
393 <div class="col-xs-10"> <img
394 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
398 <li class="list-group-item task-item">
399 <div class="col-xs-10"> RMSD vs. step*replica
400 colored by bath temperature</div>
401 <div class="col-xs-10"> <img
402 src="/myfiles/download-file/{{task.jobdirname}}/remd_step_rms.png"
409 <li class="list-group-item task-item">
410 <div class="col-xs-10"> exchanges (walk in T) </div>
411 <div class="col-xs-10"> <img
412 src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
416 <li class="list-group-item task-item">
417 <div class="col-xs-10"> model1 after conversion
419 {{ task.remd_model1|linebreaks }}
421 <div class="col-xs-10">
423 href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
425 src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
428 <li class="list-group-item task-item">
429 <div class="col-xs-10"> model2 after conversion
431 {{ task.remd_model2|linebreaks }}
433 <div class="col-xs-10">
435 href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
437 src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
440 <li class="list-group-item task-item">
441 <div class="col-xs-10"> model3 after conversion
443 {{ task.remd_model3|linebreaks }}
445 <div class="col-xs-10">
447 href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
449 src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
452 <li class="list-group-item task-item">
453 <div class="col-xs-10"> model4 after conversion
455 {{ task.remd_model4|linebreaks }}
457 <div class="col-xs-10">
459 href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
461 src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
464 <li class="list-group-item task-item">
465 <div class="col-xs-10"> model5 after conversion
467 {{ task.remd_model5|linebreaks }}
469 <div class="col-xs-10">
471 href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
473 src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">