I am posting again as previous identical message had alleged suspicious header.
I used successfully script
f=open("prod1-3_no_wat_pop.pdb", "r")
for line in f:
line=line.rstrip()
if "WAT" not in line:
print line
f.close()
to strip lines containing the word WAT from a very long file.
A variant need has now emerged, to perform the same task from a very long
series of shorter files trp.pdb.1, trp.pdb.2 ,..... Could you see how to adapt
the above script to the new need?
Or adapt
grep -v WAT trp.pdb.1
grep -v WAT trp.pdb.2
....................
grep -v WAT trp.pdb.n
Unless you can think better to remove that pervasive molecule of water, to
avoid performing the calculation ex novo.
Thanks
francesco pietra
____________________________________________________________________________________
Be a better friend, newshound, and
know-it-all with Yahoo! Mobile. Try it now.
http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ
--
http://mail.python.org/mailman/listinfo/python-list
