Hi Edward,
I use CCPN Analysis2.1, which is quite a popular program in Europe.
http://www.ccpn.ac.uk/ccpn
It's really useful as you can check T1/T2 curve fits in the program
graphically whilst assigning peaks and it's really, really good for NOE
assignment when doing structures. It also has a Format Converter,
unfortunately though, it seems to output a 'Sparky' list slightly
incorrectly. Maybe I should contact CCPN, as I'm sure a lot of people in
Europe use both Analysis and Relax and are probably having the same
problems. I'll have a go at a bug report next week as I have brand new
data which I can put up there.
Maddy Strickland
ps - I'm sorry to hear about your very seasonal 'elf class' problem!
------------------------------
Message: 2
Date: Tue, 14 Dec 2010 23:27:14 +0100
From: "Edward d'Auvergne" <edward@xxxxxxxxxxxxx>
Subject: Re: [Fwd: relax-users Digest, Vol 54, Issue 3]
To: Maddy Strickland <M.Strickland@xxxxxxxxxxxxx>
Cc: relax-users@xxxxxxx
Message-ID:
<AANLkTimz6oqvBW7ibO1XDDyhGwyz7r+tAcrrsPAcZGCr@xxxxxxxxxxxxxx>
Content-Type: text/plain; charset=ISO-8859-1
Dear Maddy,
Would you have an example file (truncated to make things smaller) with
this? If you could create a bug report
(https://gna.org/bugs/?func=additem&group=relax) and attach a file
there, it would be much appreciated. The aim of relax is to be able
to handle anything you throw at it, so the best solution would be for
you to do nothing! What is the Analysis software? I'm not aware of
that one. Is it separate software, or are you talking about part of
Sparky itself. My Sparky install is complaining about "wrong ELF
class: ELFCLASS32" so I can't check at the moment.
For ordering the peak lists, as long as you are not on a Windows
computer you can use the 'sort' command. What creates the
'A1649N-A1649HN' notation exactly? I have some experience with Sparky
- actually I asked Tom Goddard and helped him implement the 'rm'
command back in 2001 for measuring the spectrum's baseplane RMSD, back
when I first started relax, so that Sparky would be useful for
relaxation analyses. So I know about its strange peak 'assignments'.
With some test data added to the relax test suite, we should be able
to add the code to handle this.
Regards,
Edward
On 14 December 2010 12:46, Maddy Strickland <M.Strickland@xxxxxxxxxxxxx>
wrote:
Hi everyone,
I've had this problem too - does anyone know how to output Sparky lists
from Analysis properly? ?The problem is that you cannot order them on
output and you also have to change the first column manually in every list
as it outputs as
A1649N-A1649HN
which is not recognised by Relax, so you have to change every line to
A1649N-HN
which is a bit of a pain. ?I really like using Analysis for peak picking
and it would be a shame to change. ?Would it be easier to use another
program, which doesn't have so many compatibility issues?
Maddy Strickland
CCPN Analysis2.1 compatibility