Dear Justin,
You could try if ACPYPE (http://webapps.ccpn.ac.uk/acpype/) could help,
but I do not have any personal experience with that. We are working on
better integration of various programs, which will include ARIA, but that
will take a while.
Unfortunately using ARIA with non-standard amino acids is more an ARIA
problem than a CCPN problem, so you might have to try asking them.
Yours,
Rasmus
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Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Tue, 16 Aug 2011, Justin Lecher wrote:
> Hi all,
>
> I like to use Aria to calculate the structure of a short peptide with a
> pyroglutamate at the Nterminus. The assignment through analysis was easy
> using a PCA as Nterminal aminoacid in the sequence. But neither the
> creation of an aria project.xml through extendNMR nor a manual setup
> through aria GUI works. Both ways give an error related to an unknown
> amino acid.
>
> Could someone please point me to the correct way to setup the run and
> calculate the structure? Where do I need to include the additional
> topa/para definitions?
>
>
> Thanks justin
>
>
> --
> Justin Lecher
> Institute of Complex Systems
> ICS-6 Structural Biochemistry
> Research Centre Juelich
> 52425 Juelich, Germany
> phone: +49 2461 61 2117
>
>
>
>
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