Computational Crystallography Toolbox contains following modules: - annlib_adaptbx: - boost_adaptbx: wrappers for Boost functionality in CCTBX - cbflib_adaptbx: - ccp4io_adaptbx: - cctbx: Libraries for general crystallographic applications, useful for both small-molecule and macro-molecular crystallography. - cma_es: - crys3d: Modules for the display of molecules, electron density, and reciprocal space data. - dxtbx: The Diffraction Image Toolbox, a library for handling X-ray detector data of arbitrary complexity from a variety of standard formats. - fable: Fortran EMulation library for porting Fortran77 to C++. - gltbx: Python bindings for OpenGL - iotbx: Working with common crystallographic file formats. - libtbx: The build system common to all other modules. This includes a very thin wrapper around the SCons software construction tool. It also contains many useful frameworks and utilities to simplify application development, including tools for regression testing, parallelization across multiprocessor systems and managed clusters, and a flexible, modular configuration syntax called PHIL (Python Hierarchial Interface Language) used throughout the CCTBX. - mmtbx: Functionality specific to macromolecular crystallography. This includes all of the machinery required for setup of geometry restraints, bulk solvent correction and scaling, analysis of macromolecular diffraction data, calculation of weighted map coefficients, and most of the methods implemented in phenix.refine. The majority of infrastructure for the MolProbity validation server (and Phenix equivalent) is also located here. - omptbx: OpenMP interface. - rstbx: A reciprocal space toolbox to autoindex small molecule Bragg diffraction, given the reciprocal space vectors. - scitbx: General scientific calculations. his includes a family of high-level C++ array types, a fast Fourier transform library, and a C++ port of the popular L-BFGS quasi-Newton minimizer. - smtbx: Small-Molecule crystallography. - spotfinder: - tbxx: - wxtbx: wxPython controls used in the Phenix GUI and various utilities

For Qt5 users there is a wrapper available called QJDns and a very high-level wrapper called QJDnsShared (under its original name JDnsShared).

Gmsh is a 3D finite element grid generator with a build-in CAD engine and post-processor. Its design goal is to provide a fast, light and user-friendly meshing tool with parametric input and advanced visualization capabilities. Gmsh is built around four modules: geometry, mesh, solver and post-processing. The specification of any input to these modules is done either interactively using the graphical user interface or in ASCII text files using Gmsh's own scripting language.

Imath is a basic, light-weight, and efficient C++ representation of 2D and 3D vectors and matrices and other simple but useful mathematical objects, functions, and data types common in computer graphics applications, including the “half” 16-bit floating-point type.

libjodycode is a software code library containing code shared among several of the programs written by Jody Bruchon such as imagepile, jdupes, winregfs, and zeromerge. These shared pieces of code were copied between each program as they were updated. As the number of programs increased and keeping these pieces of code synced became more annoying, the decision was made to combine all of them into a single reusable shared library.

Full Java runtime environment - needed for executing Java GUI and Webstart programs, using Hotspot Zero.