Repository navigation
Conversation
…hem-wisc#1186 mzLib smith-chem-wisc#1186 makes bare "trypsin" the proline-restricted enzyme and names the unrestricted one "trypsin/P". MetaMorpheus's default has been the unrestricted enzyme, so without this every default search would change. - CommonParameters.DefaultProteaseName is "trypsin/P". CommonParameters uses it when no digestion parameters are given, and the task windows, file-specific parameters window and the Arg-C and semi-trypsin recommended-settings switches select it instead of "trypsin". - The chymotrypsin recommended-settings cases match "chymotrypsin" and "chymotrypsin/P". They matched the parenthetical names mzLib smith-chem-wisc#1005 replaced in February 2026, so they never fired on a current mzLib. - Tests whose expected values were measured with the unrestricted enzyme now name trypsin/P: 18 lines in 8 test files and six settings files, including TestData/SmallCalibratible_Yeast.toml, the file-specific settings many searches pick up. Tests that pass under either rule keep their spelling. - DigestionAgentNameTests round-trips "chymotrypsin" and "trypsin/P" in place of the retired "chymotrypsin|P". Needs the mzLib release that carries smith-chem-wisc#1186; "trypsin/P" does not exist in 1.0.594. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_013NnV5rYxLKC7SNfcgT1uEV
trishorts
force-pushed
the
fix/keep-unrestricted-trypsin
branch
from
October 11, 2026 02:47
0ba3579 to
32a0e6a
Compare
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Draft on the fork until the mzLib release that carries smith-chem-wisc/mzLib#1186. At that point:
This draft is based on smith-chem-wisc#2905's branch, so the diff shows only this change. Retarget it to
masteronce smith-chem-wisc#2905 merges. Closes smith-chem-wisc#2750 when it lands on smith.Why
smith-chem-wisc/mzLib#1186 restores the protease naming every other search engine uses:
trypsinis the proline-restricted enzyme,K[P]|,R[P]|;trypsin/Pcleaves before proline,K|,R|.Bare
trypsinhas meant the unrestricted enzyme since at least 2022, and that is what MetaMorpheus searches with by default. Against a pack of smith-chem-wisc/mzLib#1186, MetaMorpheus master fails 77 of 2,910 tests:trypsinnow restricts proline: different peptides, PSM counts and q-values.trypsin, or take mzLib'sDigestionParamsdefault.X|Pnames:The decision for MetaMorpheus is to keep today's results: default to
trypsin/Pand name it wherever a test's expected values were measured with it.What this changes
CommonParameters.DefaultProteaseName = "trypsin/P":CommonParametersuses it when no digestion parameters are given.chymotrypsinandchymotrypsin/P. They matched the parenthetical names mzLib make protease and rnase tsv embedded resources smith-chem-wisc/mzLib#1005 replaced in February 2026, so they never fired on a current mzLib.elastasecase starts firing again by itself, since Make the proline suffix follow the community convention (|P was inverted) smith-chem-wisc/mzLib#1186 renameselastase|Pback toelastase.trypsin/P: 18 lines in 8 test files.TestData/SmallCalibratible_Yeast.toml, a file-specific settings file that several searches pick up. Its baretrypsinoverrode the task's protease, which is whyTestPepFilteringFewerThan100Psmschanged even with the new default.DigestionAgentNameTests.ASavedTaskReloadsWithItsProteaseround-tripschymotrypsinandtrypsin/Pinstead of the retiredchymotrypsin|P.Not changed
Saved task files. A saved task file that says
Protease = "trypsin"now loads as the restricted enzyme. Every such file was saved meaning the unrestricted one, so re-running it changes its results. smith-chem-wisc/mzLib#1186 documents this as its one deliberate break. Nothing in this PR handles it; whether MetaMorpheus should is an open decision (see smith-chem-wisc#2750).Verified
Against a local pack of smith-chem-wisc/mzLib#1186 at
5b424f6a2(its later head adds only an error-message change), with smith-chem-wisc#2905, smith-chem-wisc#2906 and this change, the full suite (filterCategory!=ExternalService, as mzLib'sintegrationjob runs it) gives 2912 passed, 0 failed, 1 skipped.🤖 Generated with Claude Code
https://claude.ai/code/session_013NnV5rYxLKC7SNfcgT1uEV