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Issue 560 #561

Merged
merged 12 commits into from
Dec 14, 2023
Merged

Issue 560 #561

merged 12 commits into from
Dec 14, 2023

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pckroon
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@pckroon pckroon commented Nov 23, 2023 •
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TODO:

  • Implement link matching based on (sane) modifications
  • Add modification intolerance to a bunch of links
  • Add tests
  • Docs

Fixes #560

@pckroon pckroon requested a review from fgrunewald December 5, 2023 10:34
fgrunewald
fgrunewald approved these changes Dec 5, 2023
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Nice job!

vermouth/processors/do_links.py Show resolved Hide resolved
@fgrunewald fgrunewald merged commit 11ae07c into master Dec 14, 2023
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@fgrunewald fgrunewald deleted the issue_560 branch December 14, 2023 14:32
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@fgrunewald fgrunewald fgrunewald approved these changes

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Successfully merging this pull request may close these issues.

Incorrect Martini 2.2 topologies for alpha-helical peptides
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@pckroon @fgrunewald