[Tutor] just one question

[vince spicer]

one way is:

import re

infile = open("test.txt", "r") #: open read mode
outfile = open("out.tx", "w") #: open write mode

for line in infile:
    values = re.split("\s+", line) # split values on spaces EX: ['47', '8',
'ALA', 'H', 'H', '7.85', '0.02', '1']
    outfile.write("%s  %s C =  %s  CA =  %s CB = %s" % (values[1],
values[2], values[5], values[6], values[7]))

infile.close()
outfile.close()

not tested but should work

Vince

On Wed, Jul 15, 2009 at 6:24 AM, <amrita at iisermohali.ac.in> wrote:

> Hi,
>
> i want to ask one thing that suppose i have a .txt file having content
> like:---
>
>
>  47     8   ALA       H     H      7.85     0.02     1
>  48     8   ALA       HA    H      2.98     0.02     1
>  49     8   ALA       HB    H      1.05     0.02     1
>  50     8   ALA       C     C    179.39      0.3     1
>  51     8   ALA       CA    C     54.67      0.3     1
>  52     8   ALA       CB    C     18.85      0.3     1
>  53     8   ALA       N     N    123.95      0.3     1
> 107    15   ALA       H     H      8.05     0.02     1
> 108    15   ALA       HA    H      4.52     0.02     1
> 109    15   ALA       HB    H      1.29     0.02     1
> 110    15   ALA       C     C    177.18      0.3     1
> 111    15   ALA       CA    C     52.18      0.3     1
> 112    15   ALA       CB    C     20.64      0.3     1
> 113    15   ALA       N     N    119.31      0.3     1
> 154    21   ALA       H     H      7.66     0.02     1
> 155    21   ALA       HA    H      4.05     0.02     1
> 156    21   ALA       HB    H      1.39     0.02     1
> 157    21   ALA       C     C    179.35      0.3     1
> 158    21   ALA       CA    C     54.33      0.3     1
>
> now what i want that i will make another .txt file in which first it will
> write the position of ALA lets say 8, 15, 21 then its name ALA and then
> the fifth column value for only three atoms C,CA and CB.
>
> Means it will be someting like:
>
> 8  ALA  C = 179.39  CA = 54.67  CB = 18.85
> 15 ALA  C = 177.18  CA = 52.18  CB = 20.64
> 21 ALA  C = 179.35  CA = 54.33  CB =
>
> if some value is not there then it will leave that as blank.I am new in
> python but this is what we want, so how can i do it using python script.
>
>
>
>
>
> Amrita Kumari
> Research Fellow
> IISER Mohali
> Chandigarh
> INDIA
>
> _______________________________________________
> Tutor maillist  -  Tutor at python.org
> http://mail.python.org/mailman/listinfo/tutor
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mail.python.org/pipermail/tutor/attachments/20090715/aec746af/attachment-0001.htm>