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Predict MS2 spectrum of a peptide with a modification in a particular position #15

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lgatto opened this issue Dec 29, 2023 · 0 comments

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lgatto commented Dec 29, 2023

I have a sequence:

"ARTKQTARKSTGGKAPRKQLATKAARKSAPATGGVKKPHRYRPGTVALRE"

it contans many Lys, but I want to add a modification (acetylation 42Da to only the second Lys). Based on the calculateFragments() documentation it appears I can only add modifications to all residues of a particular type (all Lys). Is there an implementation that can solve my problem?

Copied over from MSnbase.

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