Fwd: Delete lines containing a specific word

  • Thread starter Francesco Pietra
  • Start date
F

Francesco Pietra

I forgot to add that the lines to strip are in present case of the type of the
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 said:
Date: Sun, 6 Jan 2008 09:21:33 -0800 (PST)
From: Francesco Pietra <[email protected]>
Subject: Delete lines containing a specific word
To: (e-mail address removed)

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.rstrip()
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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