task.min_pdbout=form.cleaned_data["min_pdbout"]
task.myfile1=form.cleaned_data["file1"]
task.min_unres_pdb=form.cleaned_data["min_unres_pdb"]
+ task.unres_ff=form.cleaned_data["unres_ff"]
seq,task.ssbond=from_pdb(task.myfile1)
task.md_seq=""
task.md_tau=form.cleaned_data["md_tau"]
task.md_scal_fric=form.cleaned_data["md_scal_fric"]
task.md_mdpdb=form.cleaned_data["md_mdpdb"]
-
+ task.unres_ff=form.cleaned_data["unres_ff"]
task.ready=True
basename = str(task.owner)
# task.remd_rest1file=form.cleaned_data["remd_rest1file"]
task.remd_cluter_temp=form.cleaned_data["remd_cluter_temp"]
+ task.unres_ff=form.cleaned_data["unres_ff"]
basename = str(task.owner)
suffix = datetime.datetime.now().strftime("%y%m%d_%H%M%S")
if 'RMSD of the common residues=' in line:
text=' RMSD='+line.split()[5]
if 'TM-score =' in line:
- text=text+' TM-score='+line.split()[2]
+ text=text+' TMscore='+line.split()[2]
if 'GDT-TS-score=' in line:
- text=text+' GDT-TS='+line.split()[1]
+ text=text+' GDT_TS='+line.split()[1]
if i==1:
task.remd_model1=task.remd_model1+text