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Improve restraint mask generation#11

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drroe merged 10 commits intomasterfrom
deal.with.modified.res
Feb 6, 2026
Merged

Improve restraint mask generation#11
drroe merged 10 commits intomasterfrom
deal.with.modified.res

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@drroe drroe commented Feb 6, 2026

Version 0.6b.

Now restraint masks are generated by identifying contiguous stretches of similar-type residues. This should also address #10.

Adds a test case with modified residue names.

@drroe drroe self-assigned this Feb 6, 2026
@drroe drroe added enhancement New feature or request bugfix labels Feb 6, 2026
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drroe commented Feb 6, 2026

This also properly recognizes GLYCAM protein residues names as protein (instead of carbohydrate).

@drroe drroe merged commit 8469ff7 into master Feb 6, 2026
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@drroe drroe deleted the deal.with.modified.res branch February 6, 2026 14:52
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