help_text='total number of steps', max_value=10000000)
md_seed = forms.IntegerField(label='SEED',initial=-39912345,
help_text='seed for random number generator')
+ dock_peptide = forms.BooleanField(required=False,initial=False,
+ label='dock peptide',help_text='no constrains on 2nd chain')
def clean(self):
cleaned_data = super(TaskForm_dock, self).clean()
f2.write(line.replace('$ssbond',tmp_ss))
elif 'cd $PBS_O_WORKDIR' in line and instance.type == 'dock':
f2.write(line)
- f2.write('../files/generator_v12a plik.pdb plik2.pdb 0 \n')
+ if instance.dock_peptide:
+ f2.write('../files/generator_v12a plik.pdb plik2.pdb 1 \n')
+ else:
+ f2.write('../files/generator_v12a plik.pdb plik2.pdb 0 \n')
f2.write("sed '/END/q' plik.pdb |grep ATOM > plik1ter.pdb \n")
f2.write("echo TER >> plik1ter.pdb \n")
f2.write("sed '/END/q' plik2.pdb |grep ATOM >> plik1ter.pdb \n")
#dock
myfile2 = models.FileField(default='',upload_to=user_directory_path2)
pdbcode2 = models.CharField(max_length=6,default='')
+ dock_peptide = models.BooleanField(default=False)
# system
ready = models.BooleanField(default=False)
<div class="col-md-6"> pdb code2</div>
<div class="col-md-6">{{ task.pdbcode2 }}</div>
</li>
+ <li class="list-group-item task-item">
+ <div class="col-md-6"> dock_peptide</div>
+ <div class="col-md-6">{{ task.dock_peptide }}</div>
+ </li>
{% endif %}
<li class="list-group-item task-item">
<div class="col-md-6"> pdb code2</div>
<div class="col-md-6">{{ task.pdbcode2 }}</div>
</li>
+ <li class="list-group-item task-item">
+ <div class="col-md-6"> dock_peptide</div>
+ <div class="col-md-6">{{ task.dock_peptide }}</div>
+ </li>
{% endif %}
<li class="list-group-item task-item">
task.md_pdbref=True
task.md_respa=False
task.ssbond=""
+ task.dock_peptide=form.cleaned_data["dock_peptide"]
task.md_seq=""