change mmseqs pdb data path

[kierandidi]

Reference Issues/PRs

What does this implement/fix? Explain your changes

Problem: the demo notebook as well as local tests fail when one tries to use pdb_manager for clustering with the following mmseqs2 error:

FileNotFoundError: [Errno 2] No such file or directory: 'pdb_cluster_rep_seq_id_0.3_c_0.8.fasta'

This is due to this line, where only fasta_fname is passed to mmseqs, but it should be the whole path str(self.root_dir / fasta_fname) to which the fasta file was written.

What testing did you do to verify the changes in this PR?

Locally making this change and running again allows successful clustering.

Pull Request Checklist

• [x] Added a note about the modification or contribution to the ./CHANGELOG.md file (if applicable)
• [ ] Added appropriate unit test functions in the ./graphein/tests/* directories (if applicable)
• [ ] Modify documentation in the corresponding Jupyter Notebook under ./notebooks/ (if applicable)
• [ ] Ran 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)
• [x] Checked for style issues by running black . and isort .

[sonarcloud[bot]]

Quality Gate passed

Issues
0 New issues
0 Accepted issues

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