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jhjensen2/snippet1.py

Created May 6, 2016 09:38
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snippet1.py
smiles = "CCCC"
subst = ["F","Cl"]
l = list(smiles)
print l
s = ""
print l[1]+l[2]+l[3]
for i in range(len(subst)):
x = subst[i]
for j in range(len(subst)):
y = subst[i]
if j>=i:
print x+smiles+y
for i in range(len(l)):
s = s + l[i]
print s
Raw
snippet2.py
x = "CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35"
words = x.split("N")
print words
print words[0]+"[N@H+]"+words[1]
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