[feat] add uniprot ecnumber and cath label options to pdb manager #398
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What does this implement/fix? Explain your changes
We add the possibility to add metadata as part of the pdb manager, for example ec number, uniprot id or cath code and also filter by these.
Also adds option to download pdb data in mmcif and bcif format.
Also change a few pandas commands to satisfy deprecation warnings.
What testing did you do to verify the changes in this PR?
The change is made in a backward-compatible way; all old options and tests still run, but one can pass in new labels to enable that new option.
Pull Request Checklist
./CHANGELOG.mdfile (if applicable)./graphein/tests/*directories (if applicable)./notebooks/(if applicable)python -m py.test tests/and make sure that all unit tests pass (for small modifications, it might be sufficient to only run the specific test file, e.g.,python -m py.test tests/protein/test_graphs.py)black .andisort .