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d8f66a0
1
Parent(s):
45cd4d2
Update code/add_structure.py
Browse files- code/add_structure.py +9 -0
code/add_structure.py
CHANGED
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@@ -234,14 +234,23 @@ def find_distance(coordMut, coordAnnot):
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def domainDistance(domStart, domEnd, coordinates, mutationPosition, matchList, posOnPDB):
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resList = list(range(domStart, domEnd))
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domainDistanceList = []
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for i in resList:
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try:
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domainPos = ast.literal_eval(matchList)[str(i)]
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coordMut = coordinates[str(posOnPDB)]
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coordDomain = coordinates[str(domainPos)]
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distance = find_distance(coordMut, coordDomain)
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domainDistanceList.append(distance)
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return min(domainDistanceList)
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except KeyError:
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domainDistanceList = np.NaN
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def domainDistance(domStart, domEnd, coordinates, mutationPosition, matchList, posOnPDB):
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resList = list(range(domStart, domEnd))
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st.write('resList')
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st.write(resList)
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domainDistanceList = []
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for i in resList:
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st.write('i', i)
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st.write(ast.literal_eval(matchList)[str(i)])
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st.write(coordinates[str(posOnPDB)])
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st.write(coordinates[str(domainPos)])
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st.write(find_distance(coordMut, coordDomain))
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try:
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domainPos = ast.literal_eval(matchList)[str(i)]
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coordMut = coordinates[str(posOnPDB)]
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coordDomain = coordinates[str(domainPos)]
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distance = find_distance(coordMut, coordDomain)
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domainDistanceList.append(distance)
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st.write('domainDistanceList')
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st.write(domainDistanceList)
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return min(domainDistanceList)
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except KeyError:
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domainDistanceList = np.NaN
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