protein-mosaic-q
Open-source research software for quantifying amino-acid clustering in protein structures, developed alongside simulation-based analyses of structural patterns.
Description
protein-mosaic-q is an open-source Python library for computing the Q and Q_alt structural descriptors, which quantify the spatial clustering of amino acids according to their physicochemical properties in three-dimensional protein structures.
The software works with PDB and mmCIF structure files and provides both a Python API and a command-line interface, supporting reproducible computational analysis of protein structural organization.
It is developed within the broader Proteins Mosaic Q research framework, which also includes simulation-based analyses of structural patterns and citizen-science observations. These complementary approaches support the investigation of amino-acid organization in protein structures.