MOPRO

Entered: Tue Nov 23 2010

Operating systems: DEC Alpha; Linux; MacOS; MS Windows

Type: Binary

Languages: Fortran; Java

Distribution: Free for academic use

Application fields: Biology; Chemistry; Modelling; Structure; Quantum crystallography

Bibliography: Guillot, B. Viry, L. Guillot, R. Lecomte, C. & Jelsch, C. (2001). J. Appl. Cryst. 34, 214-223

Description: Structure and Charge Density Refinement of Crystal Structures. It implements spherical and non spherical, multipolar model of atomic electron density, the latter being necessary to take into account the deformation of electron density arising from interatomic interactions, which becomes visible and quantifiable at subatomic resolution.

References: http://www.crystallography.fr/crm2/fr/services/logiciels/MoPro.htm