mail
koranthala
koranthala at gmail.com
Wed Jul 15 23:42:51 EDT 2009
On Jul 15, 11:46 pm, amr... at iisermohali.ac.in wrote:
> Dear all,
>
> Sorry that I am disturbing you all again and again but this is the way I
> am trying to solve my problem:---
>
> >>> import re
> >>> exp = re.compile("CA")
> >>> infile = open("file1.txt")
> >>> for line in infile:
>
> ... values = re.split("\s+", line)
> ... if exp.search(line):
> ... print ("%s %s CA = %s" %(values[2], values[3], values[6]))
> ...
> with this it is giving the output like:----
>
> 8 ALA CA = 54.67
> 15 ALA CA = 52.18
> 21 ALA CA = 54.33
> 23 ALA CA = 55.84
> 33 ALA CA = 55.58
> 38 ALA CA = 54.33
>
> which is all right but i want CB and C value also in each row and it
> should take value from 5th column infront of them, file is something
> lookin 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
> 159 21 ALA CB C 17.87 0.3 1
> 160 21 ALA N N 123.58 0.3 1
> 169 23 ALA H H 8.78 0.02 1
> 170 23 ALA HA H 4.14 0.02 1
> 171 23 ALA HB H 1.62 0.02 1
> 172 23 ALA C C 179.93 0.3 1
> 173 23 ALA CA C 55.84 0.3 1
> 174 23 ALA CB C 17.55 0.3 1
> 175 23 ALA N N 120.16 0.3 1
> 232 33 ALA H H 7.57 0.02 1
> 233 33 ALA HA H 3.89 0.02 1
> 234 33 ALA HB H 1.78 0.02 1
> 235 33 ALA C C 179.24 0.3 1
> 236 33 ALA CA C 55.58 0.3 1
> 237 33 ALA CB C 19.75 0.3 1
> 238 33 ALA N N 121.52 0.3 1
> 269 38 ALA H H 8.29 0.02 1
> 270 38 ALA HA H 4.04 0.02 1
> 271 38 ALA HB H 1.35 0.02 1
> 272 38 ALA C C 178.95 0.3 1
> 273 38 ALA CA C 54.33 0.3 1
> 274 38 ALA CB C 18.30 0.3 1
> 275 38 ALA N N 120.62 0.3 1
>
> I just want that it will give output something 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 = 17.87.....
>
> so first it will write the position of the amino acid(given by second
> column)then amino acid here it is ALA and then the corresponding value of
> C, CA and CB from 5th colum for each position of ALA.
>
> Amrita Kumari
> Research Fellow
> IISER Mohali
> Chandigarh
> INDIA
Hi,
Can you try using the code which I suggested in the earlier thread?
If you cannot use it to get the output, just point it out here, and
I will try to solve the issue.
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