library for structural biology

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  • License: Mozilla Public License 2.0 (MPL 2.0) (MPL-2.0)
  • Author: Marcin Wojdyr
  • Tags structural bioinformatics , structural biology , crystallography , CIF , mmCIF , PDB , CCP4 , MTZ
  • Requires: Python >=3.8
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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,
  • Python bindings,
  • Fortran 2003+ interface (in progress),
  • partial WebAssembly bindings,
  • online tools 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. © 2017-2024 Global Phasing Ltd.

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  • License: Mozilla Public License 2.0 (MPL 2.0) (MPL-2.0)
  • Author: Marcin Wojdyr
  • Tags structural bioinformatics , structural biology , crystallography , CIF , mmCIF , PDB , CCP4 , MTZ
  • Requires: Python >=3.8
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This version

0.7.1

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