Subject: Re: [nmr_sparky] Re: peaks saving in "project mode"
From: Mandar T. Naik
Date: Jun 30, 2006

Previous: 180 Next: 182

Hi all,
I think the unnoticed problem with Lucas peaklist is use of non
conventional resonance names for Sparky. It, according to me, has nothing to
do with DOS-UNIX. I remember somewhere Thomas was very clear about saying
that one can use any atom/group name, but some of the extentions are more
format specific.

Sparky manual says:
The file should contain a line for each peak. The line should have an
assignment followed by chemical shifts for each axis. For example
C2H5-G1H1 5.395 6.030
The assignment can contain ? components. It can omit a group name for a
component -- the shorthand G1H1-H2 where the second group is omitted is
equivalent to G1H1-G1H2. The residue name is separated from the atom name
by looking for a residue number followed by one of the letters H, C, N, Q,
or M (upper or lower case).

Sparky rp seems to get goofed by not finding the residue number. Please
rr CBO to say CBO1 in your original spectra or manually edit the peaklist
in any editor. I know oc/op worked for you, but you might still be wondering
why rp failed and hence this reply.

Best regards
-mandar

----- Original Message -----
From: henry_jonker
To: nmr_sparky@yahoogroups.com
Sent: Friday, June 30, 2006 3:55 PM
Subject: [nmr_sparky] Re: peaks saving in project mode

Luca Mollica wrote:

because of the presence of n at the end of each line ....
Do you have any advice about solving the problem ?

I generally just copy and paste to a new generated text file or
convert it using the Editpad text editor....
There are also some more tools to be found on the www called dos2unix
/ unix2dos, that may convert the text files.

Good luck,

Henry