Hi Peter,
Thankyou very much for your kind help. I got the output like the way I
wanted (which you have also shown in your output). I really appreciate your
effort.
Thanks for your time.
Amrita
On Thu, Jan 9, 2014 at 8:41 PM, Peter Otten <__pete...@web.de> wrote:
> Amrita Kum
---
and so on. So if a row doesn't have that atom (for ex. row 1 doesn't
have H atom) then if it can print nil that I can undestand that it is
missing for that particular residue. This arrangement I need in order
to compare this chemical shift value with oth
he chemical shift value of
similar atom from each row at one time
like this:
1 HA2=3.7850
2 HA2=nil
3 HA2=nil
.
..
13 HA2=nil
similarly, for atom HA3:
1 HA3=3.9130
2 HA3=nil
3 HA3=nil
...
....
13 HA3=nil and so on.
so how to split each item
Sorry I forgot to add tutor mailing list.please help for the below.
-- Forwarded message --
From: Amrita Kumari
Date: Fri, Jan 3, 2014 at 2:42 PM
Subject: Re: [Tutor] arrangement of datafile
To: Evans Anyokwu
Hi,
I have saved my data in csv format now it is looking like
#x27;HB': 1.88,
'HG12': 1.601,
'HG13': 2.167,
'HG21': 0.847,
'HG22': 0.847,
'HG23': 0.847,
'N': 119.03},
11: {'H': 7.947, 'HA': 4.369, 'HB3': 2.514, 'N': 117
;: 3.697,
'HB': 1.88,
'HG12': 1.601,
'HG13': 2.167,
'HG21': 0.847,
'HG22': 0.847,
'HG23': 0.847,
'N': 119.03},
11: {'H': 7.947, 'HA': 4.369, 'HB3': 2.514, &#
s the number of atoms in
different row are different and similar atom are at random position in
different residue hence I don't know to to split them. Please help to solve
this problem.
Thanks,
Amrita
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To unsu
;,
> 121.20],
> ['CA', '=', 54.32], ['HA', '=', 4.21], ['C', '=', 0.0]]
> - C: 0.0
> - CA: 54.32
> - H: 7.7
> - HA: 4.21
> - N: 121.21
> - kvdata: [['H', '=', 7.70000002],
alue is missing and in another one I will put those line
for which N, CA and C all values are missing.
Thanks for help.
Amrita
> amr...@iisermohali.ac.in wrote:
>> It is not giving any value, without any error
>>
>> ph08...@sys53:~> python trial.py
>> ph08...@sys53:
It is not giving any value, without any error
ph08...@sys53:~> python trial.py
ph08...@sys53:~>
it is coming out from shell.
Thanks for help.
Amrita
> amr...@iisermohali.ac.in wrote:
>> Sorry to say, but till now I have not got the solution of my problem, I
>> tr
')
> for line in f:
> if re.search('C = ',line):
> print line
>
> I am getting those lines for which C value is there but how to get those
> one for which it doesn't have any value, i did google search but still i
> am not getting.
>
> Amri
, i did google search but still i
am not getting.
Amrita Kumari
Research Fellow
IISER Mohali
Chandigarh
INDIA
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port re
>> >> expr = re.compile("C = None")
>> >
>> > This will search for the literal string 'C = None' which does not
>> exist in
>> > your sdata.
>> > You need to search for 'C = 'at the end of the line (assumi
N,CA and C all are missing,
I tried in this way:
import re
expr = re.compile("C = None")
f = open("helix.dat")
for line in f:
if expr.search(line):
print line
but i am not getting the desired output.
Amrita Kumari
Research Fellow
IISER Moh
CA = 54.67 HA =0.00 C =0.00|8 ALA helix
(helix_alpha, helix1)
I tried to merge these two files using commands like:-
from collections import defaultdict
>>> def merge(sources):
... if __name__ == "__main__":
... a = open("/home/amrita/alachems/chem100.txt"
Thankyou sir it is working.but one more thing i want to ask that if my
file will have entries like:---
fileA and fileB
12 10
13 12
14
15
means if their no. of entries will not match then how to combine them(both
input files have more than one column).
Thanks,
Amrita
Hi,
I have two large different column datafiles now i want to join them as
single multi-column datafile:--
I tried the command:--
>>> file('ala', 'w').write(file('/home/amrita/alachems/chem2.txt',
'r').read()+file('/home/amrita/pdbfi
Thankyou very much sir now it is working..it is giving that result
which i wanted. Thankyou very much..
Thanks,
Amrita
> Please use reply-all, so that emails go to the list as well.
>
> 2009/7/16 :
>> Thankyou for help it is working and giving the result but the
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
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