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Gemmi - MX project |
GEMMI |
General MacroMolecular I/O |
Open-source library for working with:
- crystallographic symmetry,
- macromolecular models (in mmCIF, PDB and mmJSON formats),
- refinement restraints (CIF files),
- crystallographic reflections (MTZ and mmCIF formats),
- data on a 3D grid (electron density maps, masks, MRC/CCP4 format).
For C++11, Python 2/3/PyPy, Fortran 2003+ and (planned) JavaScript.
The library is accompanied by a set of command-line tools for converting and validating files, and for calculation of various properties and metrics from models, maps and data.
Code: github.com/project-gemmi/gemmi
Documentation: gemmi.readthedocs.io
- periodic table as an impractical way of searching PDB
- PDB statistics focused on the data collection hardware and software; each plot is an interactive filter
- synchrotron work patterns -- as seen in the wwPDB data