Hi Wim,
Thanks for the reply I have worked out another way around what i wanted to
do but I shall explain myself better in case it is of use to anyone else.
I don't actually want to use sparky I wanted to have a sparky style list to
use as an input into MARS, which i think needs to be of the type.
Name H N CA CA-1 CB CB-1 CO CO-1
At first I was worried that if i put assignments in the name column i this
would be overwritten with new assignments by MARS but thinking about it this
is obviously not going to be the case. However if I use format converter to
create a sparky list in the name column I get the something like 2lysH -
2LysC-2LysN for assigned spin systems, which is fine. But for any unassigned
spin systems I get ?-?-? in the name column which is not very helpful. What
would be more useful in this case would be the spin system number in the
name column.
As it happens I have found a way around what I was trying to do by exporting
peaklist tables directly from the peaklist editor window and selecting only
the relevant columns to export.
However to extract the I-1 peaks from the I peaks for each of these peak
lists (to fit into the format above) would be tedious in the extreme.
Luckily Chris in our lab has written a python script to do this for me so
hopefully I can then stitch the lists together to form an input file of the
type above.
As for the pop up window issue I am using a linux machine and the "problem"
is not that the box is too small as such it is just that it pops up
directly behind the window that generates it so it appears as if nothing has
happened.
cheers
Steve
> Date: Tue, 5 Sep 2006 13:50:29 +0100
> From: Wim Vranken <[log in to unmask]>
> Subject: Re: Format converter output
>
> Hi Stephen,
>
> Sorry for the delay in answering - was gone the last couple of weeks.
Anyway I'm not sure if I understand exactly what kind of output you want -
the problem with Sparky is that the text formats are all pretty much
completely 'free-format', so I only export the basic columns.
>
> If you send me a couple of 'example lines' that show what you want I'll
look into it. You want the peak serial numbers from analysis in there, right?
>
> As for the very small DataDimRef selection popup when exporting, is this
on a Mac? It's a known problem which is related to how Tcl/Tk windows are
handled... I'll see if there's anything I can do.
>
> Bye,
>
> Wim
>
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