I would like to extract values corresponding to variable DIHED (here
4660.1650) and getting also the mean value from all DIHED.
To just pull the DIHED values, you can use this:
import re
find_dihed_re = re.compile(r'\bDIHED\s*=\s*([.-e\d]+)', re.I)
total = count = 0
for line in file('file.txt'):
m = find_dihed_re.search(line)
if m:
str_value = m.group(1)
try:
f = float(str_value)
total += f
count += 1
except:
print "Not a float: %s" % str_value
print "Total:", total
print "Count:", count
if count:
print "Average:", total/count
If you want a general parser for the file, it takes a bit more work.
-tkc
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