PowderCell is a powder pattern calculation program for Windows that enables users to process single crystal data and refine experimental curves. It is possible to display crystal structures with more than seven hundred settings for transforming monoclinic, orthorhombic and rhombohedral space-group types.

Overview

The main goal of this software is to allow intuitive structure modification through step-by-step manipulation and a quasi-simultaneous comparison between input information and calculated diffraction pattern. In addition, the utility contains refinement procedures for adapting both experimental and theoretical data. If you need to examine the structure of proteins, you may use specialized applications such as PyMOL.

Layout and usage

The graphical user interface features an comprehensive, yet intuitive layout, which is focused on the necessary input data and the solution of powder diffraction problems. However, this is not a drawback, since you are able to extract interesting information concerning crystal symmetry or phase composition, grain size, strain and more.

Summary

PowderCell is a convenient tool for crystal structure determination using diffraction data. It supplements the teaching processes thanks to the simulation of experimental influences on powder pattern and the visualization of crystallographic properties.

Features

free to download and use;
compatible with modern Windows versions;
gives you the ability process crystal information;
you can convert experimental and theoretical data;
it is possible to calculate diffraction patterns.