def calDeltaHS(qseq, hseq):
"""
Calculate deltaH and deltaS
"""
# Initial
deltaH = 0
deltaS = 0
qseq = re.sub('[atcgn]+', '', qseq)
hseq = re.sub('[atcgn]+', '', hseq)
init_begin = 'init' + hseq[0]
init_end = 'init' + hseq[-1]
initH = TP.dH_full[init_begin] + TP.dH_full[init_end]
initS = TP.dS_full[init_begin] + TP.dS_full[init_end]
deltaH = deltaH + initH
deltaS = deltaS + initS
# Get the complement of a sequence
hseq_complement = LS.seq(hseq).complement
# Calculate the free Gibbs energy
length = len(hseq)
for i in range(length):
if i > length - 2:
break
dinuc = qseq[i:(i + 2)] + hseq_complement[i:(i + 2)]
if TP.dH_full.has_key(dinuc) and TP.dS_full.has_key(dinuc):
deltaH = deltaH + TP.dH_full[dinuc]
deltaS = deltaS + TP.dS_full[dinuc]
return (deltaH, deltaS)
def calDeltaHS(qseq, hseq):
"""
Calculate deltaH and deltaS
"""
# Initial
deltaH = 0
deltaS = 0
qseq = re.sub('[atcgn]+', '', qseq)
hseq = re.sub('[atcgn]+', '', hseq)
init_begin = 'init' + hseq[0]
init_end = 'init' + hseq[-1]
initH = TP.dH_full[init_begin] + TP.dH_full[init_end]
initS = TP.dS_full[init_begin] + TP.dS_full[init_end]
deltaH = deltaH + initH
deltaS = deltaS + initS
# Get the complement of a sequence
hseq_complement = LS.seq(hseq).complement
# Calculate the free Gibbs energy
length = len(hseq)
for i in range(length):
if i > length - 2:
break
dinuc = qseq[i : (i+2)] + hseq_complement[i : (i+2)]
if TP.dH_full.has_key(dinuc) and TP.dS_full.has_key(dinuc):
deltaH = deltaH + TP.dH_full[dinuc]
deltaS = deltaS + TP.dS_full[dinuc]
return (deltaH, deltaS)
def test():
seq = 'CGTTGA'
print LS.seq(seq).complement
print '*' * 80
print seq
def test():
seq = 'CGTTGA'
print LS.seq(seq).complement
print '*' * 80
print seq
