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Rappsilber-Laboratory / xiFDR

Generic FDR-Calculation for cross-linked PSMs and resulting peptide pairs, links and protein pairs
Apache License 2.0
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Non standard enzymes in mzIdentML #17

Open lutzfischer opened 6 years ago

lutzfischer commented 6 years ago

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 commented 5 years ago

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