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Override global dataset_info properties when processing CrossDock using only Ca atoms #30

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Override global dataset_info properties when processing CrossDock using only Ca atoms #30

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@amorehead amorehead commented Jun 17, 2023 •
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  • Now overriding global dataset_info properties when processing CrossDock using only Ca atoms, as otherwise these values would not be updated (i.e., correct) e.g., for amino_acid_dict at runtime.
  • To my best knowledge, without this change, it is currently not possible to process CrossDock with ca_only=True.

@amorehead amorehead changed the title Override global dataset_info when processing CrossDock using only Ca atoms Override global dataset_info properties when processing CrossDock using only Ca atoms Jun 17, 2023
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