Fabulous Eric, that's exactly what I was looking for! It was generalized 
beyond the terms I was searching, that must be why I missed it!

Cheers

Leonard



On Monday, September 3, 2012 7:57:35 AM UTC-7, Eric Deutsch wrote:
>
> Hi Leonard, I think this is what you're looking for: 
>
> http://tools.proteomecenter.org/wiki/index.php?title=Software:SpectraST#Se 
> mi-empirical_Spectrum_Generation<http://tools.proteomecenter.org/wiki/index.php?title=Software:SpectraST#Semi-empirical_Spectrum_Generation>
>  
>
> Regards, 
> Eric 
>
>
> > -----Original Message----- 
> > From: [email protected] <javascript:> 
> > [mailto:spctools-<javascript:> 
> > [email protected] <javascript:>] On Behalf Of Leonard Foster 
> > Sent: Sunday, September 02, 2012 10:21 PM 
> > To: spctools-discuss 
> > Subject: [spctools-discuss] SpectraST and stable isotope labels 
> > 
> > Hi all 
> > 
> > I haven't found an answer to my question on this Group or the 
> > SpectraST wiki. Thus, I suspect the answer is 'no' but if not, I'm 
> > hoping someone here can tell me. 
> > 
> > The question is, if the spectra for a particular isotopically labelled 
> > form of a peptide does not exist in the spectral library but a 
> > differently labelled form does, can/does SpectraST adapt the spectra 
> > to what would be expected? For example, if LLAGTK (no label) exists in 
> > the spectral library but you have a SILAC-labelled sample (with normal 
> > Lys and D4-Lys) containing LLAGTK, can the algorithm do two searches, 
> > one a direct comparison and the second where all Y-ions are shifted by 
> > 4 Da? 
> > 
> > Thanks 
> > 
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>

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