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" <[email protected]> Subject: Re: [Fwd: relax-users Digest, Vol 54, Issue 3] To: Maddy Strickland <[email protected]> Cc: [email protected] Message-ID: <[email protected]> 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 <[email protected]> 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 _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
