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"> sequence </div>
26 <div class="col-xs-10">{{ task.md_seq}}</div>
29 <li class="list-group-item task-item">
30 <div class="col-xs-10"> SSBOND </div>
31 <div class="col-xs-10">{{ task.ssbond}}</div>
35 {% if task.type == "min" %}
38 <li class="list-group-item task-item">
39 <div class="col-xs-10"> algorithm</div>
40 <div class="col-xs-10">{{ task.min_choice }}</div>
42 <li class="list-group-item task-item">
43 <div class="col-xs-10"> overlap</div>
44 <div class="col-xs-10">{{ task.min_overlap }}</div>
46 <li class="list-group-item task-item">
47 <div class="col-xs-10"> searchsc</div>
48 <div class="col-xs-10">{{ task.min_searchsc }}</div>
50 <li class="list-group-item task-item">
51 <div class="col-xs-10"> maxmin</div>
52 <div class="col-xs-10">{{ task.min_maxmin }}</div>
54 <li class="list-group-item task-item">
55 <div class="col-xs-10"> maxfun</div>
56 <div class="col-xs-10">{{ task.min_maxfun }}</div>
58 <li class="list-group-item task-item">
59 <div class="col-xs-10"> pdbout</div>
60 <div class="col-xs-10">{{ task.min_pdbout }}</div>
62 <li class="list-group-item task-item">
63 <div class="col-xs-10"> input pdb </div>
64 <div class="col-xs-10">{{ task.myfile1 }}</div>
66 <li class="list-group-item task-item">
67 <div class="col-xs-10"> unres_pdb</div>
68 <div class="col-xs-10">{{ task.min_unres_pdb }}</div>
72 {% if task.type == "md" %}
73 <li class="list-group-item task-item">
74 <div class="col-xs-10"> starting </div>
75 <div class="col-xs-10">{{ task.md_start}}</div>
78 <li class="list-group-item task-item">
79 <div class="col-xs-10"> input pdb </div>
80 <div class="col-xs-10">{{ task.myfile1 }}</div>
82 <li class="list-group-item task-item">
83 <div class="col-xs-10"> seed </div>
84 <div class="col-xs-10">{{ task.md_seed}}</div>
86 <li class="list-group-item task-item">
87 <div class="col-xs-10"> pdbref </div>
88 <div class="col-xs-10">{{ task.md_pdbref}}</div>
90 <li class="list-group-item task-item">
91 <div class="col-xs-10"> respa </div>
92 <div class="col-xs-10">{{ task.md_respa}}</div>
94 <li class="list-group-item task-item">
95 <div class="col-xs-10"> temperature </div>
96 <div class="col-xs-10">{{ task.md_temp}}</div>
98 <li class="list-group-item task-item">
99 <div class="col-xs-10"> nstep </div>
100 <div class="col-xs-10">{{ task.md_nstep}}</div>
102 <li class="list-group-item task-item">
103 <div class="col-xs-10"> ntwe </div>
104 <div class="col-xs-10">{{ task.md_ntwe}}</div>
106 <li class="list-group-item task-item">
107 <div class="col-xs-10"> ntwx </div>
108 <div class="col-xs-10">{{ task.md_ntwx}}</div>
110 <li class="list-group-item task-item">
111 <div class="col-xs-10"> dt </div>
112 <div class="col-xs-10">{{ task.md_dt}}</div>
114 <li class="list-group-item task-item">
115 <div class="col-xs-10"> thermostat </div>
116 <div class="col-xs-10">{{ task.md_lang}}</div>
119 {% if task.md_lang == "berendsen" %}
121 <li class="list-group-item task-item">
122 <div class="col-xs-10"> tau </div>
123 <div class="col-xs-10">{{ task.md_tau}}</div>
128 <li class="list-group-item task-item">
129 <div class="col-xs-10"> scal_fric </div>
130 <div class="col-xs-10">{{ task.md_scal_fric}}</div>
135 <li class="list-group-item task-item">
136 <div class="col-xs-10"> mdpdb </div>
137 <div class="col-xs-10">{{ task.md_mdpdb}}</div>
141 {% if task.type == "remd" %}
143 <li class="list-group-item task-item">
144 <div class="col-xs-10"> nrep </div>
145 <div class="col-xs-10">{{ task.remd_nrep}}</div>
147 <li class="list-group-item task-item">
148 <div class="col-xs-10"> starting </div>
149 <div class="col-xs-10">{{ task.md_start}}</div>
152 <li class="list-group-item task-item">
153 <div class="col-xs-10"> input pdb </div>
154 <div class="col-xs-10">{{ task.myfile1 }}</div>
156 <li class="list-group-item task-item">
157 <div class="col-xs-10"> seed </div>
158 <div class="col-xs-10">{{ task.md_seed}}</div>
160 <li class="list-group-item task-item">
161 <div class="col-xs-10"> pdbref </div>
162 <div class="col-xs-10">{{ task.md_pdbref}}</div>
164 <li class="list-group-item task-item">
165 <div class="col-xs-10"> respa </div>
166 <div class="col-xs-10">{{ task.md_respa}}</div>
168 <li class="list-group-item task-item">
169 <div class="col-xs-10"> nstep </div>
170 <div class="col-xs-10">{{ task.md_nstep}}</div>
172 <li class="list-group-item task-item">
173 <div class="col-xs-10"> nstex </div>
174 <div class="col-xs-10">{{ task.remd_nstex}}</div>
176 <li class="list-group-item task-item">
177 <div class="col-xs-10"> dt </div>
178 <div class="col-xs-10">{{ task.md_dt}}</div>
180 <li class="list-group-item task-item">
181 <div class="col-xs-10"> thermostat </div>
182 <div class="col-xs-10">{{ task.md_lang}}</div>
185 {% if task.md_lang == "berendsen" %}
187 <li class="list-group-item task-item">
188 <div class="col-xs-10"> tau </div>
189 <div class="col-xs-10">{{ task.md_tau}}</div>
194 <li class="list-group-item task-item">
195 <div class="col-xs-10"> scal_fric </div>
196 <div class="col-xs-10">{{ task.md_scal_fric}}</div>
201 <li class="list-group-item task-item">
202 <div class="col-xs-10"> temperatures </div>
203 <div class="col-xs-10">{{ task.remd_multi_t}}</div>
205 <li class="list-group-item task-item">
206 <div class="col-xs-10"> multiplex </div>
207 <div class="col-xs-10">{{ task.remd_multi_m}}</div>
214 <li class="list-group-item task-item">
215 <div class="col-xs-10"> Directory </div>
216 <div class="col-xs-10">
217 <a href="/myfiles/list/{{task.jobdirname}}/">
218 {{ task.jobdirname }}
226 {% if task.type == "min" %}
228 <li class="list-group-item task-item">
229 <div class="col-xs-10"> Etot </div>
230 <div class="col-xs-10">{{ task.etot }}</div>
233 <li class="list-group-item task-item">
234 <div class="col-xs-10"> UNRES model </div>
235 <div class="col-xs-10">
237 href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
239 src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
240 width="500"></a> </div>
244 <li class="list-group-item task-item">
245 <div class="col-xs-10"> Structure overlap </div>
246 <div class="col-xs-10"> <img
247 src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
254 <li class="list-group-item task-item">
255 <div class="col-xs-10"> Results </div>
256 <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
259 {% if task.type == "md" %}
261 <li class="list-group-item task-item">
262 <div class="col-xs-10"> Temperature histogram </div>
263 <div class="col-xs-10"> <img
264 src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
268 <li class="list-group-item task-item">
269 <div class="col-xs-10"> Potential energy </div>
270 <div class="col-xs-10"> <img
271 src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
275 <li class="list-group-item task-item">
276 <div class="col-xs-10"> Movie </div>
277 <div class="col-xs-10">
279 <video width="500" height="400" preload controls>
281 src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
282 type="video/ogg; codecs=theora"> </source>
289 {% if task.md_pdbref %}
290 <li class="list-group-item task-item">
291 <div class="col-xs-10"> RMSD </div>
292 <div class="col-xs-10"> <img
293 src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
300 {% if task.type == "remd" %}
302 <li class="list-group-item task-item">
303 <div class="col-xs-10"> Energy histogram </div>
304 <div class="col-xs-10"> <img
305 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
309 <li class="list-group-item task-item">
310 <div class="col-xs-10"> Energy vs. temperature </div>
311 <div class="col-xs-10"> <img
312 src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
316 <li class="list-group-item task-item">
317 <div class="col-xs-10"> Cv vs. temperature </div>
318 <div class="col-xs-10"> <img
319 src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
323 {% if task.md_pdbref %}
325 <li class="list-group-item task-item">
326 <div class="col-xs-10"> Average RMSD vs. temperature </div>
327 <div class="col-xs-10"> <img
328 src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
332 <li class="list-group-item task-item">
333 <div class="col-xs-10"> potential energy vs. RMSD</div>
334 <div class="col-xs-10"> <img
335 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
342 <li class="list-group-item task-item">
343 <div class="col-xs-10"> exchanges (walk in T) </div>
344 <div class="col-xs-10"> <img
345 src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
349 <li class="list-group-item task-item">
350 <div class="col-xs-10"> model1 after conversion
351 to allatom with PULCHRA and SCWRL
352 {{ task.remd_model1|linebreaks }}
354 <div class="col-xs-10">
356 href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
358 src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
361 <li class="list-group-item task-item">
362 <div class="col-xs-10"> model2 after conversion
363 to allatom with PULCHRA and SCWRL
364 {{ task.remd_model2|linebreaks }}
366 <div class="col-xs-10">
368 href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
370 src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
373 <li class="list-group-item task-item">
374 <div class="col-xs-10"> model3 after conversion
375 to allatom with PULCHRA and SCWRL
376 {{ task.remd_model3|linebreaks }}
378 <div class="col-xs-10">
380 href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
382 src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
385 <li class="list-group-item task-item">
386 <div class="col-xs-10"> model4 after conversion
387 to allatom with PULCHRA and SCWRL
388 {{ task.remd_model4|linebreaks }}
390 <div class="col-xs-10">
392 href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
394 src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
397 <li class="list-group-item task-item">
398 <div class="col-xs-10"> model5 after conversion
399 to allatom with PULCHRA and SCWRL
400 {{ task.remd_model5|linebreaks }}
402 <div class="col-xs-10">
404 href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
406 src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">