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')
# minimization
import datetime
import os
import subprocess
+import json
res_codes = [
# 20 canonical amino acids
i=i-(chain_end[c]-chain_start[c])-3
ssbond=[ [e[0]-unres_shift[c[0]]+1,e[1]-unres_shift[c[1]]+1] for e,c in zip(ssbond,ssbond_ch)]
- return seq,ssbond
+ return seq,json.dumps(ssbond)
@login_required