The Crystallographic Fortran Modules Library (CrysFML) is a set of Fortran 95 modules containing procedures of interest in Crystallographic applications. This set of modules has been, and is still being developed, by us in order to facilitate the design and the development of crystallographic
... [More] computing programs. The whole library is written in a subset of Fortran 95 (F-language) for which free compilers are available. The source code is freely available to those academic groups interested in cooperative scientific software development. [Less]
MMDB is a macromolecular coordinate library, written by Eugene Krissinel.
It supports reading and writing two file formats, PDB and mmCIF, and provides high-level tools for working with coordinate files: orthogonal-fractional coordinate transforms, generation of symmetry mates, editing the
... [More] molecular structure and some others.
Tarballs available at: ftp://ftp.ccp4.ac.uk/opensource/ [Less]
Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.
ESMERALDA is a suite of programs for data analysis and simulation of Laue diffraction patterns obtained in neutron sources with the capability of treating magnetic scattering and multi-domain crystals.
Repository containing some crystallographic software used by the neutron scattering Diffraction Group at the Institut Laue Langevin, France. Also contains Esmeralda and CCSL.
Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers.
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