gemmi

gemmi copied to clipboard

GEMMI can help if you work with:

• macromolecular models (from mmCIF, PDB and mmJSON files),
• refinement restraints (CIF files),
• crystallographic reflections (from MTZ and SF-mmCIF files),
• electron density maps (MRC/CCP4 files),
• crystallographic symmetries,
• or if you just read and write CIF/STAR files (where C=Crystallographic).

GEMMI is a header-only C++11 library accompanied by:

• command-line tools,
• Python bindings (supporting CPython and PyPy),
• Fortran 2003+ interface (in progress),
• WebAssembly ports (see here and here),
• and little data viz projects.

Documentation: http://gemmi.readthedocs.io/en/latest/

GEMMI is an open-source project of CCP4 and Global Phasing Ltd, two major providers of software for macromolecular crystallography.

Citing: JOSS paper.

License: MPLv2, or (at your option) LGPLv3. © 2017-2022 Global Phasing Ltd.