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predict MS2 spectrum of a peptide with a modification in a particular position. #464

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pavel-shliaha opened this issue May 19, 2019 · 1 comment
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predict MS2 spectrum of a peptide with a modification in a particular position. #464

pavel-shliaha opened this issue May 19, 2019 · 1 comment

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@pavel-shliaha
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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?
@lgatto lgatto mentioned this issue Dec 29, 2023
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@lgatto
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lgatto commented Dec 29, 2023

I have copied this issue over to PSMatch, the new package that deals with PSMs and peptide identification.

@lgatto lgatto closed this as completed Dec 29, 2023
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@lgatto @pavel-shliaha