Hi,
I am trying to use analysis and aria 2.1 and have encountered a
disturbing problem. After running Aria 2.1, my entire peak list in
analysis was altered. I found that Aria also made crazy assignments in my
15N-NOESY-HSQC, such as assigning C13 resonances to protons in F1, without
making any assignments in F2. Additionally it made assignments outside the
spectral boundries I had written in. Despite the fact that Aria2.1 made
its own clone of the NOESY peak list, my orignal peak list had the same
wrong assignments. The isotope of many of my carbon assinments was changed
from 13C to 1H. I tried deleting the NOESY peak lists, but my assignment
list was still altered. When I tried to fix it, the dimensions were all
messed up. Like I would try to assign a H1 and it would say that
you cannot assign H1 in a Carbon dimension (even though it was a
Hydrogen dimension).
I noticed that you had said you had some problems in Edinburgh with
this interface and was wondering if you ever had this problem and possibly
figured out how to fix it.
Thank you for any feedback,
Brigid Stadinski
On Thu, 17 May 2007 14:56:20 +0100, Dr Andy Herbert <[log in to unmask]>
wrote:
>Hi Marcos,
>
>The simplest way to do this is to create a new aria 2.1 project using
>the GUI. Then define your analysis under the CCPN data model tab.
>Molecular systems, Shift lists and spectra etc can then be added and
>defined using their analysis names - aria 2.1 goes directly into your
>analysis project. The setup should be relatively straight forward
>provided you set your PYTHONPATH environment variable to include the
>ccpn library - just as you do when using analysis.
>
>A word of warning though, here in Edinburgh we have had a number of
>issues with this interface so you may want to back up your entire
>analysis project before running aria.
>
>Hope this helps.
>
>Cheers
>
>Andy
>
>
>On Thu, 2007-05-17 at 14:16 +0100, Marcos Battistel wrote:
>> Hi all,
>> I would like to use all the information that I have in my analysis
project
>> to run Aria 2.1.
>> It seems that Aria needs separate spectra (ie HSQC-NOESY and NOESY), the
>> peak lists for each of them and the chemical shift list to assign the
NOESY
>> peaks.
>> I would like to know: How do I get all this data out from my analysis
>> project so I can use it into Aria 2.1?
>> Thanks,
>> Marcos.
>>
>--
>Dr Andy Herbert
>Department of Chemistry
>University of Edinburgh
>West Mains Road
>Edinburgh
>UK
>EH9 3JJ
>Tel: +44 (0)131 650 4704 or 650 7372
>Email: [log in to unmask]
>=========================================================================
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