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biotite-dev / hydride

Adding hydrogens to molecular models
https://hydride.biotite-python.org/
BSD 3-Clause "New" or "Revised" License
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Read bonds from CIF/BCIF file #16

Closed padix-key closed 1 month ago

padix-key commented 1 month ago

Currently the CLI does infer bonds from a CIF/BCIF file, due to a remnant from the time bonds could not be parsed from PDBx. This leads to bugs with heteroresidues such as #14. This PR fixes this.

Fixes #14.