structscope

Work in progress — APIs, CLI flags, and output schemas may change between releases. Pin a version tag for reproducible workflows.

structscope is a Rust-native structural bioinformatics toolkit for canonical protein structure parsing, graph-native representations, reproducible feature extraction, and analytical outputs.

It parses PDB, mmCIF, and BinaryCIF (with gzip support) into a canonical model, builds residue/atom/interface graphs, and computes raw structural primitives: solvent accessible surface area, relative accessibility, DSSP-style secondary structure, backbone dihedrals, optimal superposition/RMSD, and typed interactions. All primitives emit raw quantities; downstream interpretation is left to the user.

See CLI Usage to get started, Architecture for the crate layout, and the Changelog for recent additions.