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Ruibin-Liu committed Oct 16, 2023
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Expand Up @@ -7,9 +7,10 @@ pip install moldf -U
```

## New features

- Can get a list of chain ids through `PDBDataFrame.chain_list` property, even when two chains are identical as to `chaid_id`s.

## Fixes

- `label_seq_id` dtype is not set to ``int`` because many cif files don't respect that specification by [RCSB](https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v40.dic/Items/_atom_site.label_seq_id.html).
- Check local directories for files first before attempting to download them from online resources for ``read_pdb`` and ``read_pdbx``.
- Residues in different chains but with identical (`chain_id`, `residue_name`, `residue_number`) are now listed separately in `residue_list`. A fixed file by pdbfixer if the original file is a bioassembly file containing same asym chains can have such a problem.

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