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Quick multimeric template mode doesn't support homo-oligomers #471

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jkosinski opened this issue Dec 18, 2024 · 0 comments
Open

Quick multimeric template mode doesn't support homo-oligomers #471

jkosinski opened this issue Dec 18, 2024 · 0 comments
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@jkosinski
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This code:

AlphaPulldown/alphapulldown/utils/multimeric_template_utils.py

Line 48 in 13d2c71

if protein not in parsed_dict:

only keeps one template per protein. Thus, one cannot use multimeric templates for homo-oligomers, e.g.

uniprot1,templ.cif,A
uniprot1,templ.cif,B
uniprot2,templ.cif,C

would only take chain A and C
@jkosinski jkosinski added the bug Something isn't working label Dec 18, 2024
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@jkosinski @DimaMolod