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Variable modifications on crosslinked peptides #118

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llmlrnr opened this issue Oct 18, 2024 · 2 comments
Closed

Variable modifications on crosslinked peptides #118

llmlrnr opened this issue Oct 18, 2024 · 2 comments

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@llmlrnr
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llmlrnr commented Oct 18, 2024

What is the correct way to specify a variable modification that should only be present on an aminoacid modified with the crosslinker (e.g. oxidation)?

Specifying it via modification:variable will lead to unnecessary increased search space, but using the MODIFICATIONS word inside of the crosslinker definition will define a variable modification on both cross-linked and linear peptides modified with the crosslinker, correct?

Is is possible to only consider the variable modification on the crosslinked peptides?

@grandrea
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grandrea commented Oct 24, 2024

yes, the modification word will define it on both peptide pairs and linear peptides modified with the crosslinker.

I am not aware of a feature directly doing what you are requesting, sorry. If I understand correctly, you should be able to to achieve it by defining your main crosslinker as usual. Then, include a second line with an additional crosslinker with a different name that incorporates the mass of the crosslinker and the modificaiton, and then not specifying any MODIFICATIONS for that crosslinker. Let me know if that works!

@llmlrnr
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llmlrnr commented Oct 25, 2024

This does work but I was wondering if there is a more elegant way of specifying such a modification. Thanks!

@llmlrnr llmlrnr closed this as completed Oct 25, 2024
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