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forlilab / Meeko Public

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Ranking passed templates by H_excess if tied with H_missing#301

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rwxayheee wants to merge 4 commits intoforlilab:developforlilab/Meeko:developfrom rwxayheee:amend_blunt_terminalrwxayheee/Meeko:amend_blunt_terminalCopy head branch name to clipboard

+98-26

Conversation Commits4 (4)Checks Files changed

Commits

Commits on Dec 27, 2024

ranking passed templates by H_excess if tied with H_missing
rwxayheee
committed

Commits on Jan 10, 2025

quick fix for excess Hs in PDB from mk_export.py
rwxayheee
committed
Report (raise warning or error for) lone hydrogens from bad input PDB
rwxayheee
committed
add test for triply protonated residue
rwxayheee
committed

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