fatmacankara commited on
Commit
d8f66a0
·
1 Parent(s): 45cd4d2

Update code/add_structure.py

Browse files
Files changed (1) hide show
  1. code/add_structure.py +9 -0
code/add_structure.py CHANGED
@@ -234,14 +234,23 @@ def find_distance(coordMut, coordAnnot):
234
 
235
  def domainDistance(domStart, domEnd, coordinates, mutationPosition, matchList, posOnPDB):
236
  resList = list(range(domStart, domEnd))
 
 
237
  domainDistanceList = []
238
  for i in resList:
 
 
 
 
 
239
  try:
240
  domainPos = ast.literal_eval(matchList)[str(i)]
241
  coordMut = coordinates[str(posOnPDB)]
242
  coordDomain = coordinates[str(domainPos)]
243
  distance = find_distance(coordMut, coordDomain)
244
  domainDistanceList.append(distance)
 
 
245
  return min(domainDistanceList)
246
  except KeyError:
247
  domainDistanceList = np.NaN
 
234
 
235
  def domainDistance(domStart, domEnd, coordinates, mutationPosition, matchList, posOnPDB):
236
  resList = list(range(domStart, domEnd))
237
+ st.write('resList')
238
+ st.write(resList)
239
  domainDistanceList = []
240
  for i in resList:
241
+ st.write('i', i)
242
+ st.write(ast.literal_eval(matchList)[str(i)])
243
+ st.write(coordinates[str(posOnPDB)])
244
+ st.write(coordinates[str(domainPos)])
245
+ st.write(find_distance(coordMut, coordDomain))
246
  try:
247
  domainPos = ast.literal_eval(matchList)[str(i)]
248
  coordMut = coordinates[str(posOnPDB)]
249
  coordDomain = coordinates[str(domainPos)]
250
  distance = find_distance(coordMut, coordDomain)
251
  domainDistanceList.append(distance)
252
+ st.write('domainDistanceList')
253
+ st.write(domainDistanceList)
254
  return min(domainDistanceList)
255
  except KeyError:
256
  domainDistanceList = np.NaN