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Expand list of solvent compounds - #832

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padix-key merged 1 commit into
biotite-dev:mainfrom
padix-key:solvent-filter
Oct 10, 2025
Merged

Expand list of solvent compounds#832
padix-key merged 1 commit into
biotite-dev:mainfrom
padix-key:solvent-filter

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This PR expands the list of solvent molecules with further residues names for deuterated water from the CCD and water residues from common modeling software. None of the later are in conflict with existing CCD names

@codspeed-hq

codspeed-hq Bot commented Oct 4, 2025

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CodSpeed Performance Report

Merging #832 will not alter performance

Comparing padix-key:solvent-filter (ca689d9) with main (dee7153)

Summary

✅ 59 untouched

@padix-key
padix-key merged commit 18b3fe3 into biotite-dev:main Oct 10, 2025
90 of 93 checks passed
@padix-key
padix-key deleted the solvent-filter branch October 14, 2025 08:49
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