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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