following block
HETATM 7007 O WAT 446 27.622 34.356 55.205 1.00 0.00 O
HETATM 7008 H1 WAT 446 27.436 34.037 56.145 1.00 0.00 H
HETATM 7009 H2 WAT 446 27.049 33.827 54.563 1.00 0.00 H
occurring in a 300MB file.
In present case each three-lines block is followed by line renumbering (7007,
7008, 7009 are line numbers). So, the script is simply to strip the lines
containing :WAT".
In other cases the block is intermediate. Therefore, a second script would be
useful where the line that follow the block are renumbered, e.g, line "HETATM
7010" following the above block renumbered "HEATM 7006".
thanks
francesco
--- Francesco Pietra <ch*********@ya hoo.comwrote:
Date: Sun, 6 Jan 2008 09:21:33 -0800 (PST)_______________ _______________ _______________ _______________ _______________ _________
From: Francesco Pietra <ch*********@ya hoo.com>
Subject: Delete lines containing a specific word
To: py*********@pyt hon.org
Please, how to adapt the following script (to delete blank lines) to delete
lines containing a specific word, or words?
f=open("output. pdb", "r")
for line in f:
line=line.rstri p()
if line:
print line
f.close()
If python in Linux accepts lines beginning with # as comment lines, please
also
a script to comment lines containing a specific word, or words, and back, to
remove #.
Thanks
francesco pietra
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