python-pliparser 0.1.4

Small standalone package with only built-in dependencies for parsing plip report to csv and create command scprit for ChimeraX

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Small standalone package with only built-in dependencies for parsing plip report to csv and create command scprit for ChimeraX

• Free software: BSD 2-Clause License

Installation

pip install python-pliparser

You can also install the in-development version with:

pip install https://github.com/EtienneReboul/python-pliparser/archive/main.zip

Documentation

https://python-pliparser.readthedocs.io/en/latest/index.html

Development

To run all the tests run:

tox

Note, to combine the coverage data from all the tox environments run:

Windows	set PYTEST_ADDOPTS=--cov-append tox
Other	PYTEST_ADDOPTS=--cov-append tox

Changelog

0.1.4 (2026-06-03)

• Added --interaction-types flag to csv2cxc to restrict output to a subset of interaction types (e.g. exclude hydrophobic interactions and hydrogen bonds). The flag is available on both the CLI and the Python API (write_cxc_file, run_csv2cxc_with_config).

• Fixed write2csv to write the interaction_type column in per-interaction CSV files and the summary, making it consistent with plip2csv_stream.

• Removed taplo-lint pre-commit hook whose remote schema-catalog fetch was broken in v0.9.3, unblocking the check CI job.

• Added .pre-commit-config.yaml and .taplo.toml to the CI path triggers so linting-config changes are validated automatically.

• Extended integration tests with a filtered-CXC use case that verifies hydrophobic and hydrogen bond interactions are absent from the output.

• Updated usage documentation with an --interaction-types example.

0.1.3 (2026-04-15)

• Fix pi-cation interaction handling in the CSV-to-CXC conversion workflow, ensuring correct annotation and pseudobond styling.

• Simplify pseudobond management logic by updating pbond dataclasses.

0.1.2 (2026-04-08)

• Expanded metal-binding handling and interaction rendering in the CSV-to-CXC conversion workflow.

• Improved pi-stacking processing and pseudobond styling selection using PLIP stacking type hints.

• Added backward-compatible typing annotations for Python 3.9 compatibility in pi-stacking pseudobond parameter selection.

• Updated unit tests to cover pi-stacking annotation behavior and related mapping paths.

0.1.1 (2026-04-07)

• Updated documentation content with detailed end-to-end usage examples (PLIP report -> CSV -> CXC).

• Added CI-aligned documentation steps, including the Docker command used to generate PLIP reports.

• Updated README links and badges to reflect Read the Docs hosting and current PyPI project metadata.

0.1.0 (2026-04-07)

• Published release 0.1.0.

• Added csv2cxc CLI workflow and end-to-end conversion from PLIP report to CSV to CXC.

• Updated packaging/distribution metadata for PyPI publication as python-pliparser.

0.0.0 (2026-03-30)

• First release on PyPI.