Crystallography & NMR System (CNS) is the result of an international collaborative effort among several research groups.

Coot, Crystallographic Object-Oriented Toolkit, is for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.

PHENIX is a software suite for the automated determination of molecular structures using X-ray crystallography and other methods.

VOTCA is a software package which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge (and exciton) transport in disordered semiconductors.