gemmi

Macromolecular crystallography library and utilities

Gemmi is a library, accompanied by a set of programs, developed primarily for use in macromolecular crystallography (MX). For working with: * macromolecular models (content of PDB, PDBx/mmCIF and mmJSON files), * refinement restraints (CIF files), * reflection data (MTZ and mmCIF formats), * data on a 3D grid (electron density maps, masks, MRC/CCP4 format) * crystallographic symmetry.