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Allow using names specified in fasta file as chain names in cif#378

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wukevin merged 5 commits intomainfrom
kevin/chain-naming
Jun 2, 2025
Merged

Allow using names specified in fasta file as chain names in cif#378
wukevin merged 5 commits intomainfrom
kevin/chain-naming

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@wukevin wukevin commented Jun 2, 2025

Description

Allows using the chain names in the fasta file as chain names in cif; defaults to False to preserve previous behavior.

Motivation

Predictable chain naming makes post hoc analysis easier.

Test plan

Tested locally for a monomer, heteromer, and homomer case.

wukevin and others added 3 commits June 2, 2025 12:27
Co-authored-by: Alex Rogozhnikov <arogozhnikov@users.noreply.github.com>
@wukevin wukevin merged commit 2a2d4a9 into main Jun 2, 2025
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@wukevin wukevin deleted the kevin/chain-naming branch June 2, 2025 19:49
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2 participants