Fixed dssp for local pdbs #172
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Thanks for the PR, Ollie! Will merge once tests pass :) |
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May 23, 2022
* adds node name to hover * fixes relative paths (threw errors before) * refactored protein graphs to always have as params: name, pdb_code, pdb_path. Also fixes #171, which was not properly fixed by #172 * fixed notebook execution failure, ran black, fixed docstring * adds test for PR #176: dssp with pdb code or local pdb * ran black, added notebook show_edges visualization, added myself to CONTRIBUTORS.md * dssp now reconstructs a pdb instead of downloading one if none available. pdb_dir default changed to /tmp * re-ran black * fixed tmp security issue. Updated changelog.
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Fixes #171
Added .pdb file extension when checking for a local copy of protein file in add_dssp_df function. Allows use of local pdb files for calculation of DSSP features.
Tested for local files not found on the PDB, as well as downloaded PDB files.