Proteinspy

Proteinspy is a CLI tool and Python library for analysing protein structure files.

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What is Proteinspy?

Proteinspy lets you analyse protein structure files directly from the terminal or from a Python script — no GUI, no manual setup, no external tools required.

It is built on gemmi, a fast C++ library for crystallography, wrapped in a clean CLI with Click and formatted output via Rich.

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Supported file formats

Extension	Format
.cif, .mmcif, .pdbx	mmCIF (recommended)
.pdb, .ent	Legacy PDB format
Any of the above + .gz	Gzip-compressed

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Quick example

pip install proteinspy
proteinspy analyze 10AJ.cif

Resolution : 2.42 Å
Method     : X-RAY DIFFRACTION

Chains  (1 total)
 Chain ID   Type                    Residues
 A          PolymerType.PeptideL    455

Ligands  (2 found)
 Ligand ID   Chain   Seq Num
 T27         A       501
 MG          A       502

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Navigation

• Installation — pip, Poetry, Windows notes
• Usage — all commands with examples
• API Reference — Python library interface
• Changelog — version history