gemmi 0.7.3

Macromolecular crystallography library and utilities

GEMMI is a C++ library for macromolecular crystallography. It can be used 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.

Outputs: bin, out, python
Website: https://gemmi.readthedocs.io/en/latest/
Licenses: MPL 2.0
Package source: gnu/packages/chemistry.scm
Builds: See build status
Issues: See known issues

Installation

Install gemmi 0.7.3 as follows:

guix install gemmi@0.7.3

Or install the latest version:

guix install gemmi

The gemmi package provides more outputs besides the default (out). You can install them by appending :output-name to the package specification. For example:

guix install gemmi:bin

guix install gemmi:python

You can also install packages in augmented, pure or containerized environments for development or simply to try them out without polluting your user profile. See the guix shell documentation for more information.