Hi Tim,
I does work, thanks. The only question remaining is which MS to use. In
Experiments popup the spectra belong to both MS1 and MS2, but somehow the
shift match work only with MS2.
Cheers
Igor
On Tuesday 19 February 2008 17:45, Tim Stevens wrote:
> > I updated analysis but still no joy with the shift match. It only works
> > for one of the spectra, as before. For the others it says the the match
> > is only possible outside residue range. Looks like there is still some
> > difference between your analysis version and mine.
>
> Hi Igor,
>
> OK, so I've finally managed to reproduce your problem with my version. The
> issue is indeed to do with MolSystems. As the spectrum in your example is
> assigned to MolSystem "MS2" it seemed odd that the screenshot showed
> "MS1". I can get the restraints to be accepted if I set the molecular
> system in the shift match popup to "MS2" and then carefully select chain
> "A" again for both residue ranges - being careful to click the small blue
> triangle and set "A" again. The restraints are rejected if chains from
> "MS1" are set. I presume it is correct to match with only "MS2"?
>
> This is an interface issue that I can readily fix - the chain needs to
> swtch over automatically with molSystem - but that will have to be one for
> tomorrow.
>
> T.
>
> ---------------------------------------------------------------------------
>---- Dr Tim Stevens Email: [log in to unmask]
> Department of Biochemistry [log in to unmask]
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> ---------------------------------------------------------------------------
>---- ------ +NH3CH(CH(CH3)OH)C(O)NHCH(CH(CH3)CH2CH3)C(O)NHCH(CH2CH2SCH3)CO2-
> -------
> ---------------------------------------------------------------------------
>----
--
Dr. Igor Barsukov
The University of Liverpool,
School of Biological Sciences,
Biosciences Building,
Crown Street,
Liverpool L69 7ZB
Tel: +44 151 795 4307
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