chemur is a tool for detecting non-covalent interactions between proteins, nucleic acids, ligands, and metals in PDB and mmCIF structural files. It offers a Python API, a command-line interface, and a high-performance C++ geometry core. Designed for researchers in structural biology and cheminformatics, it is open source under the MIT license.
chemur sits in PulseGate's Other dev tools category. Accurately identifying and analyzing non-covalent interactions in protein, nucleic acid, ligand, and metal structures from PDB/mmCIF files. chemur is an open-source project aimed at structural biologists. The project is open source (MIT). It runs on the command line and API.
It is developed by SweeneyAaron, and it first shipped in 2026. The project is developed in the open on GitHub with 10 commits in the last 90 days. Among its 5 catalogued features are Non-covalent Detection, PDB Analysis, and mmCIF Support.
Summary written by a language model from the project’s public pages.
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