add javascript instead of separate forms
-option of automatic download file from PDB using id
+# option of automatic download file from PDB using id
+# done
check input pdb for:
unknown residues,
MREMD - add cluster parameters, change after run and rerun only cluster analysis
- button to make movie from selected trajectory after run
-examples+gallery
+# examples
+# done
+
+gallery
documentation
include a simple mechanism to try out sample data provided by the authors,
for example, a button for automatic loading of the data. Sample data must be
accessible to users so that they can confirm data formatting requirements
-# ?
+# OK
contain help pages or a tutorial with links to sample output that performs
interactively in the same way as real output. The help pages must include
task = get_object_or_404(Task, id=task_id)
if request.method == 'POST':
if '_example' in request.POST:
- data= {'name':task.name,'pdbid':'1EI0'}
+ data= {'name':task.name,'pdbid':'1EI0','unres_ff':'opt-wtfsa-2'}
form = TaskForm_min_a(initial=data)
else:
form = TaskForm_min_a(request.POST,request.FILES)
if request.method == 'POST':
if '_example' in request.POST:
data= {'name':task.name,'pdbid':'1IGD','md_start':'pdbstart',
- 'md_pdbref':True,'md_temp':250}
+ 'md_pdbref':True,'md_temp':200}
form = TaskForm_md(initial=data)
else:
form = TaskForm_md(request.POST,request.FILES)
task = get_object_or_404(Task, id=task_id)
if request.method == 'POST':
if '_example' in request.POST:
- data= {'name':task.name,'pdbid':'1FSD','md_start':'extconf',
- 'md_pdbref':True,'md_lang':'berendsen'}
+ data= {'name':task.name,'pdbid':'1L2Y','md_start':'extconf',
+ 'md_pdbref':True,'md_mdpdb':True}
form = TaskForm_md_a(initial=data)
else:
form = TaskForm_md_a(request.POST,request.FILES)
if request.method == 'POST':
if '_example' in request.POST:
data= {'name':task.name,'pdbid':'1E0G','md_pdbref':True,
- 'md_nstep':500000,'md_lang':'berendsen','unres_ff':'opt-wtfsa-2'}
+ 'md_nstep':1000000,'md_lang':'berendsen','unres_ff':'opt-wtfsa-2',
+ 'remd_cluter_temp':270}
form = TaskForm_remd_a(initial=data)
else:
form = TaskForm_remd_a(request.POST,request.FILES)