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>
118 <li class="list-group-item task-item">
119 <div class="col-xs-10"> tau </div>
120 <div class="col-xs-10">{{ task.md_tau}}</div>
122 <li class="list-group-item task-item">
123 <div class="col-xs-10"> scal_fric </div>
124 <div class="col-xs-10">{{ task.md_scal_fric}}</div>
126 <li class="list-group-item task-item">
127 <div class="col-xs-10"> mdpdb </div>
128 <div class="col-xs-10">{{ task.md_mdpdb}}</div>
132 {% if task.type == "remd" %}
134 <li class="list-group-item task-item">
135 <div class="col-xs-10"> nrep </div>
136 <div class="col-xs-10">{{ task.remd_nrep}}</div>
138 <li class="list-group-item task-item">
139 <div class="col-xs-10"> starting </div>
140 <div class="col-xs-10">{{ task.md_start}}</div>
143 <li class="list-group-item task-item">
144 <div class="col-xs-10"> input pdb </div>
145 <div class="col-xs-10">{{ task.myfile1 }}</div>
147 <li class="list-group-item task-item">
148 <div class="col-xs-10"> seed </div>
149 <div class="col-xs-10">{{ task.md_seed}}</div>
151 <li class="list-group-item task-item">
152 <div class="col-xs-10"> pdbref </div>
153 <div class="col-xs-10">{{ task.md_pdbref}}</div>
155 <li class="list-group-item task-item">
156 <div class="col-xs-10"> respa </div>
157 <div class="col-xs-10">{{ task.md_respa}}</div>
159 <li class="list-group-item task-item">
160 <div class="col-xs-10"> nstep </div>
161 <div class="col-xs-10">{{ task.md_nstep}}</div>
163 <li class="list-group-item task-item">
164 <div class="col-xs-10"> nstex </div>
165 <div class="col-xs-10">{{ task.remd_nstex}}</div>
167 <li class="list-group-item task-item">
168 <div class="col-xs-10"> dt </div>
169 <div class="col-xs-10">{{ task.md_dt}}</div>
171 <li class="list-group-item task-item">
172 <div class="col-xs-10"> thermostat </div>
173 <div class="col-xs-10">{{ task.md_lang}}</div>
175 <li class="list-group-item task-item">
176 <div class="col-xs-10"> tau </div>
177 <div class="col-xs-10">{{ task.md_tau}}</div>
179 <li class="list-group-item task-item">
180 <div class="col-xs-10"> scal_fric </div>
181 <div class="col-xs-10">{{ task.md_scal_fric}}</div>
183 <li class="list-group-item task-item">
184 <div class="col-xs-10"> temperatures </div>
185 <div class="col-xs-10">{{ task.remd_multi_t}}</div>
187 <li class="list-group-item task-item">
188 <div class="col-xs-10"> multiplex </div>
189 <div class="col-xs-10">{{ task.remd_multi_m}}</div>
196 <li class="list-group-item task-item">
197 <div class="col-xs-10"> Directory </div>
198 <div class="col-xs-10">
199 <a href="/myfiles/list/{{task.jobdirname}}/">
200 {{ task.jobdirname }}
208 {% if task.type == "min" %}
210 <li class="list-group-item task-item">
211 <div class="col-xs-10"> Etot </div>
212 <div class="col-xs-10">{{ task.etot }}</div>
215 <li class="list-group-item task-item">
216 <div class="col-xs-10"> UNRES model </div>
217 <div class="col-xs-10">
219 href="/myfiles/download-file/{{task.jobdirname}}/unres.pse">
221 src="/myfiles/download-file/{{task.jobdirname}}/unres.png"
222 width="500"></a> </div>
226 <li class="list-group-item task-item">
227 <div class="col-xs-10"> Structure overlap </div>
228 <div class="col-xs-10"> <img
229 src="/myfiles/download-file/{{task.jobdirname}}/unres_overlap.png"
236 <li class="list-group-item task-item">
237 <div class="col-xs-10"> Results </div>
238 <div class="col-xs-10">{{ task.results_text|linebreaks }}</div>
241 {% if task.type == "md" %}
243 <li class="list-group-item task-item">
244 <div class="col-xs-10"> Temperature histogram </div>
245 <div class="col-xs-10"> <img
246 src="/myfiles/download-file/{{task.jobdirname}}/temp_hist.png"
250 <li class="list-group-item task-item">
251 <div class="col-xs-10"> Potential energy </div>
252 <div class="col-xs-10"> <img
253 src="/myfiles/download-file/{{task.jobdirname}}/md_ene.png"
257 <li class="list-group-item task-item">
258 <div class="col-xs-10"> Movie </div>
259 <div class="col-xs-10">
261 <video width="500" height="400" preload controls>
263 src="/myfiles/download-file/{{task.jobdirname}}/md.ogv"
264 type="video/ogg; codecs=theora"> </source>
271 {% if task.md_pdbref %}
272 <li class="list-group-item task-item">
273 <div class="col-xs-10"> RMSD </div>
274 <div class="col-xs-10"> <img
275 src="/myfiles/download-file/{{task.jobdirname}}/md_rms.png"
282 {% if task.type == "remd" %}
284 <li class="list-group-item task-item">
285 <div class="col-xs-10"> Energy histogram </div>
286 <div class="col-xs-10"> <img
287 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_hist.png"
291 <li class="list-group-item task-item">
292 <div class="col-xs-10"> Energy vs. temperature </div>
293 <div class="col-xs-10"> <img
294 src="/myfiles/download-file/{{task.jobdirname}}/remd_Tene.png"
298 <li class="list-group-item task-item">
299 <div class="col-xs-10"> Cv vs. temperature </div>
300 <div class="col-xs-10"> <img
301 src="/myfiles/download-file/{{task.jobdirname}}/remd_cv.png"
305 {% if task.md_pdbref %}
307 <li class="list-group-item task-item">
308 <div class="col-xs-10"> Average RMSD vs. temperature </div>
309 <div class="col-xs-10"> <img
310 src="/myfiles/download-file/{{task.jobdirname}}/remd_rmsd.png"
314 <li class="list-group-item task-item">
315 <div class="col-xs-10"> potential energy vs. RMSD</div>
316 <div class="col-xs-10"> <img
317 src="/myfiles/download-file/{{task.jobdirname}}/remd_ene_rms.png"
324 <li class="list-group-item task-item">
325 <div class="col-xs-10"> exchanges (walk in T) </div>
326 <div class="col-xs-10"> <img
327 src="/myfiles/download-file/{{task.jobdirname}}/remd_ex.png"
331 <li class="list-group-item task-item">
332 <div class="col-xs-10"> model1 after conversion
333 to allatom with PULCHRA and SCWRL</div>
334 <div class="col-xs-10">
336 href="/myfiles/download-file/{{task.jobdirname}}/MODEL1.pdb">
338 src="/myfiles/download-file/{{task.jobdirname}}/model1.png" width="500">
341 <li class="list-group-item task-item">
342 <div class="col-xs-10"> model2 after conversion
343 to allatom with PULCHRA and SCWRL</div>
344 <div class="col-xs-10">
346 href="/myfiles/download-file/{{task.jobdirname}}/MODEL2.pdb">
348 src="/myfiles/download-file/{{task.jobdirname}}/model2.png" width="500">
351 <li class="list-group-item task-item">
352 <div class="col-xs-10"> model3 after conversion
353 to allatom with PULCHRA and SCWRL</div>
354 <div class="col-xs-10">
356 href="/myfiles/download-file/{{task.jobdirname}}/MODEL3.pdb">
358 src="/myfiles/download-file/{{task.jobdirname}}/model3.png" width="500">
361 <li class="list-group-item task-item">
362 <div class="col-xs-10"> model4 after conversion
363 to allatom with PULCHRA and SCWRL</div>
364 <div class="col-xs-10">
366 href="/myfiles/download-file/{{task.jobdirname}}/MODEL4.pdb">
368 src="/myfiles/download-file/{{task.jobdirname}}/model4.png" width="500">
371 <li class="list-group-item task-item">
372 <div class="col-xs-10"> model5 after conversion
373 to allatom with PULCHRA and SCWRL</div>
374 <div class="col-xs-10">
376 href="/myfiles/download-file/{{task.jobdirname}}/MODEL5.pdb">
378 src="/myfiles/download-file/{{task.jobdirname}}/model5.png" width="500">