[Tutor] just one question

[amrita at iisermohali.ac.in]

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