$ gemmi -h gemmi 0.4.5 Command-line utility that accompanies the GEMMI library, which is a joint project of CCP4 and Global Phasing Ltd. Licence: Mozilla Public License 2.0. Copyright 2017-2020 Global Phasing Ltd. https://github.com/project-gemmi/gemmi Usage: gemmi [--version] [--help] [] Commands: align sequence alignment (global, pairwise, affine gap penalty) blobs list unmodelled electron density blobs cif2mtz convert structure factor mmCIF to MTZ cif2json translate (mm)CIF to (mm)JSON contact searches for contacts (neighbouring atoms) contents info about content of a coordinate file (pdb, mmCIF, ...) convert convert file (CIF - JSON, mmCIF - PDB) or modify structure fprime calculate anomalous scattering factors f' and f" grep search for tags in CIF file(s) h add or remove hydrogen atoms json2cif translate mmJSON to mmCIF map print info or modify a CCP4 map map2sf transform CCP4 map to map coefficients (in MTZ or mmCIF) mask make a bulk-solvent mask in the CCP4 format merge merge intensities from multi-record reflection file mondiff compare two monomer CIF files mtz print info about MTZ reflection file mtz2cif convert MTZ to structure factor mmCIF reindex reindex MTZ file residues list residues from a coordinate file rmsz validate geometry using monomer library sf2map transform map coefficients (from MTZ or mmCIF) to map sfcalc calculate structure factors from a model sg info about space groups tags list tags from CIF file(s) validate validate CIF 1.1 syntax wcn calculate local density / contact numbers (WCN, CN, ACN, LDM)