I'm trying to create a semi-empirical spectrum for peptides with one aminoacid substitution, following the article
1. Yingwei Hu, 2. Yunzi Li and 3. Henry Lam, 2011, which says: "In generating a semi-empirical spectrum, SpectraST accepts the desired target sequence as input and looks in a provided spectral library for an existing peptide that differs from the input sequence by one amino acid substitution only. If found, the peaks in this existing spectrum are re-positioned to a new *m*/*z* location that corresponds to the same fragment ion in the target sequence, without changing the intensities. " I did find some instructions how to introduce modifications, but unfortunately, couldn't find how to provide SpectraST a set of peptides (or proteins) with sequences modified, so that I obtained modified spectra as an output (or add these modified spectra to existing spectral library). Could anyone please point me what I'm missing in instructions? -- You received this message because you are subscribed to the Google Groups "spctools-discuss" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/spctools-discuss. For more options, visit https://groups.google.com/d/optout.
