min_unres_pdb = forms.BooleanField(required=False,label='uploaded input unres PDB',
help_text='(CA and CB atoms only, CB represents SC in UNRES)')
min_pdbout = forms.BooleanField(required=False,label='output PDB',initial='true')
+ boxx = forms.FloatField(label='Box X',initial=1000.0,
+ help_text='box x dimension')
+ boxy = forms.FloatField(label='Box Y',initial=1000.0,
+ help_text='box y dimension')
+ boxz = forms.FloatField(label='Box Z',initial=1000.0,
+ help_text='box z dimension')
class TaskForm_md(forms.Form):
help_text='scaling of the friction coefficients (Langevin)')
md_mdpdb = forms.BooleanField(required=False,label='trajectory as PDB')
+ boxx = forms.FloatField(label='Box X',initial=1000.0,
+ help_text='box x dimension')
+ boxy = forms.FloatField(label='Box Y',initial=1000.0,
+ help_text='box y dimension')
+ boxz = forms.FloatField(label='Box Z',initial=1000.0,
+ help_text='box z dimension')
+
def clean(self):
cleaned_data = super(TaskForm_md_a, self).clean()
help_text='number of replicas')
remd_nstex = forms.IntegerField(label='NSTEX',initial=1000,
help_text='exchange and write trajectory every nstex steps')
+ md_ntwx = forms.IntegerField(label='NTWX',initial=1000,
+ help_text='write trajectory every ntwx steps')
remd_cluter_temp = forms.FloatField(label='TEMPER',
help_text='temperature for cluster analysis',initial=280)
# remd_traj1file = forms.BooleanField(required=False,label='single trajectory file',initial='true')
# remd_rest1file = forms.BooleanField(required=False,label='single restart file',initial='true')
+ boxx = forms.FloatField(label='Box X',initial=1000.0,
+ help_text='box x dimension')
+ boxy = forms.FloatField(label='Box Y',initial=1000.0,
+ help_text='box y dimension')
+ boxz = forms.FloatField(label='Box Z',initial=1000.0,
+ help_text='box z dimension')
+
+
def clean(self):
cleaned_data = super(TaskForm_remd_a, self).clean()