https://github.com/project-gemmi/gemmi

macromolecular crystallography library and utilities
https://github.com/project-gemmi/gemmi

ccp4 cif crystallography mmcif molecular-structures mtz pdb-files protein-structure structural-biology

Last synced: 20 days ago
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macromolecular crystallography library and utilities

• Host: GitHub
• URL: https://github.com/project-gemmi/gemmi
• Owner: project-gemmi
• License: mpl-2.0
• Created: 2017-02-02T15:54:15.000Z (about 8 years ago)
• Default Branch: master
• Last Pushed: 2025-04-04T18:08:26.000Z (29 days ago)
• Last Synced: 2025-04-06T21:04:31.424Z (27 days ago)
• Topics: ccp4, cif, crystallography, mmcif, molecular-structures, mtz, pdb-files, protein-structure, structural-biology
• Language: C++
• Homepage: https://project-gemmi.github.io/
• Size: 9.66 MB
• Stars: 251
• Watchers: 16
• Forks: 47
• Open Issues: 11
• Metadata Files:
  • Readme: README.md
  • License: LICENSE.txt

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README

        
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GEMMI can help if you work with:

* macromolecular models (from mmCIF, PDB and mmJSON files),

* refinement restraints (CIF files) and small molecule models,

* crystallographic reflections (from MTZ and SF-mmCIF files),

* electron and other density maps (MRC/CCP4 files),

* crystallographic symmetries,

* or if you just read and write CIF/STAR files (where C=Crystallographic).

GEMMI is a C++ library (currently, C++14) accompanied by:

* command-line [tools](https://gemmi.readthedocs.io/en/latest/program.html),

* Python bindings,

* Fortran 2003+ interface (in progress),

* partial WebAssembly bindings,

* online [tools](https://project-gemmi.github.io/wasm/)

  and little data viz [projects](https://project-gemmi.github.io/pdb-stats/).

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

GEMMI is an open-source project of [CCP4](https://www.ccp4.ac.uk/)

and [Global Phasing Ltd](https://www.globalphasing.com/),

two major providers of software for macromolecular crystallography.

Citing: [JOSS paper](https://doi.org/10.21105/joss.04200).

License: MPLv2, or (at your option) LGPLv3.

© 2017-2024 Global Phasing Ltd.