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Add Multiple or Custom Enzymes #273

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jackrogan opened this issue May 23, 2023 · 5 comments
Open

Add Multiple or Custom Enzymes #273

jackrogan opened this issue May 23, 2023 · 5 comments
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enhancement New feature or request question Further information is requested release 1.3

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@jackrogan
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Description of feature

Is it possible to run a search with multiple enzymes, or to add a custom enzyme (in this case with the appropriate cleaving locations expected for a 2-enzyme digestion?)

If it helps, the digestions I'm interested in running are Trypsin + Asp-N and Trypsin + Glu-C.

Thanks!

@jackrogan jackrogan added the enhancement New feature or request label May 23, 2023
@ypriverol
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@jackrogan this is not supported. Yet, we will give priority for next release. Can you let me know which dataset do you have in mind that can help us to test.

@ypriverol ypriverol added question Further information is requested release 1.3 labels May 23, 2023
@jpfeuffer
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Yes, it is a bit complicated. In theory, we need to model any order of enzymes and add an option to allow for simultaneous application. While e.g. Comet supports this, many other search engines do not.
We could probably release a Comet-only version of this feature earlier than a general one.

@ypriverol
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I know already that when I'm using enzymes different that Trypsin, I need to enable only Comet, this is already happening because, examples Trypsin/P doesn't work properly with multi search engine.

As you said similar approach can be followed for multiple enzymes, only allow Comet when multiple enzymes is needed.

@jackrogan
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@jackrogan this is not supported. Yet, we will give priority for next release. Can you let me know which dataset do you have in mind that can help us to test.

I don't have any data yet - I'm still working out how to analyse a planned experiment.

@jpfeuffer
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I know already that when I'm using enzymes different that Trypsin, I need to enable only Comet, this is already happening because, examples Trypsin/P doesn't work properly with multi search engine.

As you said similar approach can be followed for multiple enzymes, only allow Comet when multiple enzymes is needed.

Trypsin/P should work. Please open another issue for this.

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Labels
enhancement New feature or request question Further information is requested release 1.3
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