Seb, I would treat this one as a bug. We need to get the test for the
existence of a loaded sequence before the print out of 'Reference
spectrum' and 'Sparky formatted data file' to avoid confusion. Ryan,
the issue here is not the reading of the file but the fact that relax
requires a sequence of spins to be loaded prior to doing anything, be
that backbone N spins for a protein, all C spins in a small molecule
or a set of specific N and C spins per residue in RNA. This can be
done using sequence.read() or structure.read_pdb() followed by
structure.load_spins().
Regards,
Edward
On Tue, Dec 16, 2008 at 8:25 PM, Ryan MB Hoffman
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
Follow-up Comment #8, bug #11913 (project relax):
When I change the noe.read line to:
noe.read(file='test.list',spectrum_type='ref',format='sparky')
the output reads:
Reference spectrum.
Sparky formatted data file.
RelaxError: The sequence data does not exist.
So it looks like the data is read successfully (although I have more inputs
to test) but I need to have the protein sequence defined, correct?
Also, I suggest changing the docstring for noe.read from "sequence data" to
"relaxation data." That's a typo I've caught, right?
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Re: [bug #11913] Problems with reading Sparky formatted file