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
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Project description

Note: command-line program gemmi is in PyPI gemmi-program.

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 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. © 2017-2023 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
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Release history Release notifications | RSS feed

0.7.4

0.7.3

0.7.1

0.7.0

0.6.7

0.6.6

0.6.5

0.6.4

0.6.3

This version

0.6.2

0.6.1

0.6.0

0.5.8

0.5.7

0.5.6

0.5.5

0.5.4

0.5.3

0.5.2

0.5.1

0.5.0

0.4.9

0.4.8

0.4.7

0.4.6

0.4.5

0.4.4

0.4.3

0.4.2

0.4.1

0.4.0.post1

0.4.0

0.3.8

0.3.7

0.3.6

0.3.5

0.3.4

0.3.3

0.3.2

0.3.1

0.3.0

0.2.8

0.2.7

0.2.4

0.2.3

0.2.2

0.2.1

0.2.0

0.1.7

0.1.6

0.1.5

0.1.4

0.1.3

0.1.2

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