name = models.TextField(max_length=100)
ssbond = models.TextField(max_length=2000,default='')
- def setssbond(self,x):
- self.ssbond = json.dumps(x)
- def getssbond(self):
- return json.loads(self.ssbond)
+# def setssbond(self,x):
+# self.ssbond = json.dumps(x)
+# def getssbond(self):
+# return json.loads(self.ssbond)
unres_ff = models.CharField(max_length=20,choices=FF_CHOICE,default='E0LL2Y')
+ pdbcode = models.CharField(max_length=4,default='')
# minimization
min_choice = models.CharField(max_length=20,choices=MIN_CHOICE,default='minimize cart')
min_overlap = models.BooleanField(default=False)
min_pdbout = models.BooleanField(default=True)
myfile1 = models.FileField(default='',upload_to=user_directory_path)
min_unres_pdb = models.BooleanField(default=False)
+ boxx = models.FloatField(default=1000.0)
+ boxy = models.FloatField(default=1000.0)
+ boxz = models.FloatField(default=1000.0)
# minimization output
etot = models.FloatField(default=0)
remd_model3 = models.TextField(default='')
remd_model4 = models.TextField(default='')
remd_model5 = models.TextField(default='')
+
+#saxs
+ scal_rad = models.FloatField(default=1.0)
+ wsaxs = models.FloatField(default=100.0)
+ saxs_data = models.TextField(max_length=10000,default='')
+
# system
ready = models.BooleanField(default=False)