pyCurves documentation¶
pyCurves analyzes DNA (and/or RNA) shape from static PDB/mmCIF structures and molecular-dynamics trajectories.
Warning
pyCurves is under active development. Interfaces and output details may change before publication.
Choose an interface¶
Use the command-line reference for shell scripts and batch jobs. Use the Python API for notebooks and applications. Both interfaces call the same analysis engine and use the same conventions.
Installation¶
pyCurves requires Python 3.10 or newer. Python 3.12 is recommended.
Install the released package from PyPI:
pip install pycurves-dna
Install the optional dependencies for trajectories, plotting, and the batch trajectory engine:
pip install "pycurves-dna[all]"
To install the latest development version from source instead:
git clone https://github.com/JinsenLi/pyCurves/
cd pyCurves
pip install ".[all]"
First analysis¶
pycurves test_data/1A1F_b_c.pdb
pycurves test_data/1A6Y.cif --format json --output-file 1a6y.json
The first command prints a Curves-style report. The second writes structured JSON. See pycurves: static structures for every static-analysis option.