SHADE3

Entered: Mon Apr 18 2016

Operating systems:

Type:

Languages:

Distribution: Free

Application fields: Structure

Bibliography: Madsen, A.Ø. & Hoser, A.A. (2014). J. Appl. Cryst. 47, 2100-2104

Description: The SHADE web server has been updated to allow the use of ab initio calculations and experimental information. The resulting H-atom anisotropic displacement parameters are compared with neutron structures and other estimation approaches.

References: http://shade.ki.ku.dk