FlexCryst

Entered: Tue Jun 14 2011

Operating systems: Linux; MS Windows

Type: Binary

Languages: C++; Fortran

Distribution: Commercial

Application fields: Graphics; Modelling; Structure determination; Structure prediction

Bibliography: Data Mining in Crystallography, Structure and Bonding, Vol. 134, edited by D.W.M. Hofmann & L. N. Kuleshova (2010). ISBN 978-3-642-04758-9

Description: Consists of several modules for crystal structure prediction, crystal structure determination from X-ray powder diagrams, and estimation of sublimation energy. The program has an interactive interface with graphical visualization. Available at 500 Euro/module.

References: http://www.flexcryst.com/

 



Last updated: 14 Jun 2011