Arts & Sciences Events

Location

Title of Talk: "WinPSSP: A computer program applying direct-space methods for the crystal structure solution of molecular solids from X-ray powder diffraction."

Abstract: Since late 1980?s direct-space methods have radically changed the scope of powder diffraction, nowadays including crystal structure solution. However, the topic is young, with less than 300 structures published before 1999 [1]. To disseminate the methodology, it has been proposed to improve the average crystallography training and to increase the user friendliness of the software [1].
We have made available a Windows OS version of the direct-space methods program PSSP (running in MS_DOS mode) [2], as well as instructional videos expected to be useful for undergraduate and inexperienced users. WinPSSP is freely downloadable at http://users.uoi.gr/nkourkou/winpssp. Crystal structure determination examples will be shown, discussing the procedure, difficulties and facilitations using WinPSSP. Planned projects applying the software will be outlined.

[1]- A. Le Bail et al., Powder Diffraction (2009) 24:3, 254-262. [2]- S. Pagola and P. W. Stephens, J. Appl. Cryst. (2010) 43, 370-376.

Open to the public

Contact

lrashburne@wm.edu

This Event Appears On

• Arts & Sciences Events
• Applied Science Events