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Update asym chain names to be A, B, C, D, ... #262

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merged 1 commit into from
Dec 24, 2024
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wukevin
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@wukevin wukevin commented Dec 24, 2024

Description

Updates chain names to be A, B, C, ... instead of "protein-0-0", "protein-1-0", etc. This is more in line with how asyms are named in PDB and such.

Test plan

Local inference run, chains are named correctly and are recognized by PyMOL as expected.

@wukevin wukevin requested a review from arogozhnikov December 24, 2024 21:04
@wukevin wukevin merged commit 55af3fc into main Dec 24, 2024
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@wukevin wukevin deleted the kevin/more-cif-fixes branch December 24, 2024 21:58
asym_entity_names={
i: c.entity_data.entity_name
for i, c in enumerate(feature_context.chains, start=1)
i + 1: chr(i + 65) for i in range(len(feature_context.chains))
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FYI there is string.ascii_letters[i] or string.ascii_lowercase[i]

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2 participants