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chain ID assignment issue in scr/pdbcleanmolidcifutils.py #136

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gdkwxn opened this issue Aug 25, 2024 · 0 comments
Open

chain ID assignment issue in scr/pdbcleanmolidcifutils.py #136

gdkwxn opened this issue Aug 25, 2024 · 0 comments
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gdkwxn commented Aug 25, 2024

Entities with a singular chain ID are able to bypass the detection if the user inputs no chain ID assignment for that entity.

This bug does not affect entities that expect 2 chain ID assignments.

Example:
2:WATER --> user chID assignment = (blank)
^gets detected

1:PHOSPHATE ION --> user chID assignment = (blank)
^doesn't get detected

@gdkwxn gdkwxn added the bug Something isn't working label Aug 25, 2024
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