plddt and Pae plots #15
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…plddt method for PLDDT values
…ms and update file naming conventions. WIP
…ib implementation
…ated methods for ligand checking
… options and update test to validate HTML output
…rings for file handling classes
…ut, and ChaiOutput classes, improving clarity and usability
…nctions for improved clarity and documentation
…onfidenceJsonFile, and NpzFile
…lculations and add MIX mode to ModelCount enum
…e assertions for improved clarity and accuracy
…s for improved clarity
…nd include Plotly.js conditionally
…te test_plots.py to import from correct module
…ebug print for command in get_pae_run_script
…e data handling for test cases
…stency across test cases
…mplates for clarity on crosslink violations
… clash_cutoff parameter
hlasimpk
approved these changes
Feb 6, 2025
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Created a plotly plddt distribution plot with interactive features to directly compare the plddts between all models predicted from the ABCFold Pipeline. Also added the pae-viewer content which creates working html pages that provide an interactive model and pae plots.
changes:
Changed test data to reflect changes in output processing
Added docstrings to function's I've written in the google style to increase readability
Changed process_output.utils to process_output.file_handlers to better convey the contents of the file.
Tests for each new addition