En Mon, 19 Nov 2007 21:15:16 -0300, Henry <[EMAIL PROTECTED]>
escribió:
> On 19/11/2007, Francesco Pietra <[EMAIL PROTECTED]> wrote:
>>
>> How to insert "TER" records recursively, i.e. some thousand fold, in a
>> file
>> like in the following example? "H2 WAT" is the only constant
>> characteristic of
>> the line after which to insert "TER"; that distinguishes also for lines
>
> If every molecule is water, and therefore 3 atoms, you can use this fact
> to
> insert TER in the right place. You don't need recursion:
>
> f = open( "atoms.txt", "rt" )
> lineCount = 0
> for line in f.xreadlines( ):
> lineCount = lineCount + 1
> print line
> if lineCount == 3:
> lineCount = 0
> print "TER"
> f.close( )
A small variation can handle the original, more generic condition "insert
TER after the line containing H2
WAT"
f = open("atoms.txt", "r")
for line in f:
print line
if "H2 WAT" in line:
print "TER"
f.close()
(also, note that unless you're using Python 2.2 or earlier, the xreadlines
call does no good)
--
Gabriel Genellina
--
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