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tortoize entries exist for non-amino acid chains #12

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merged 2 commits into from
Mar 17, 2023

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AliDariusKhan
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We were getting errors for models that have some chains with no amino acids, such as 2z62. _get_tortoize_data does not generate entries for these chains, but _get_molprobity_data and _get_covariance_data do. This results in a KeyError in line 30 of iris_validation/metrics/model.py.

This PR fixes that bug by passing seq_nums to _get_tortoize_data and generating entries for all chains.

@glycojones glycojones merged commit 8a7ca2b into master Mar 17, 2023
@glycojones glycojones deleted the fix-absent-chain-bug-for-iris branch June 25, 2024 08:39
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