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Non standard enzymes in mzIdentML #17

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lutzfischer opened this issue Feb 26, 2018 · 1 comment
Open

Non standard enzymes in mzIdentML #17

lutzfischer opened this issue Feb 26, 2018 · 1 comment

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@lutzfischer
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Currently xiFDR can only export a single standard predefined enzymes to mzIdentML. If something else is used (e.g. multiple enzymes) xiFDR will just offer to pick a standard enzyme from a given list.

It should parse the xisearch rules and translate these into the mzIdentML required regular expression or parse multistep digest and find the corresponding enzymes.

@lutzfischer
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it currently checks the name and then matches that against defined mzIdentML enzymes. If it finds one this will be picked. If the name contains a + it will also try to match against several enzymes.

direct translation of the specificity is still missing

@colin-combe colin-combe transferred this issue from another repository May 29, 2019
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