Hi,
Would you have any information about which part he cannot parse?
relax is using the standard python XML module 'xml'
(http://docs.python.org/library/xml.dom.minidom.html). This should
produce valid XML. Do you know what he's using to parse the XML? In
any case, if he can do a little programming, all the spin data is
reachable with something along the lines of:
from generic_fns.mol_res_spin import spin_loop
for spin in spin_loop():
print spin.s2
Regards,
Edward
On 15 August 2011 10:20, Sébastien Morin <[email protected]> wrote:
> Hi Edward,
>
> One colleague of mine has recently started using relax and told me he was
> unable to read the xml output of relax using an xml reader...
>
> I haven't verified this myself as I am really lacking time currently, but I
> thought you might know a bit about this. ;)
>
> Cheers,
>
>
> Séb :)
>
> P.S. As a compromise to using an external xml reader, I told him he could
> start from the "final_data_extraction.py" script and modify it to fit his
> needs...
>
> --
> Sébastien Morin, Ph.D.
> Postdoctoral Fellow, S. Grzesiek NMR Laboratory
> Department of Structural Biology
> Biozentrum, Universität Basel
> Klingelbergstrasse 70
> 4056 Basel
> Switzerland
>
>
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