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
Hi,
On 17th Dec. I posted one question, how to arrange datafile in a
particular fashion so that I can have only residue no. and chemical
shift value of the atom as:
1 H=nil
2 H=8.8500
3 H=8.7530
4 H=7.9100
5 H=7.4450
Peter has replied to this mail but since I haven't subscribe to the
Hi,
I am new in programming and want to try Python programming (which is simple
and easy to learn) to solve one problem: in which
I have various long file like this:
1 GLY HA2=3.7850 HA3=3.9130
2 SER H=8.8500 HA=4.3370 N=115.7570
3 LYS H=8.7530 HA=4.0340 HB2=1.8080 N=123.2380
4 LYS H=7.9100 HA=3.
