Welcome to the "Free software applications for crystallography" website!

Crystallography is fun. Crystallography is a job. How many people in the world can state the same about their job? I am lucky that I can, and I am happy to have the great opportunity of having enough passion and skills to invest an important part of my life in doing something useful for other crystallographers, young or less, who share the same passion with me.

'Sharing' is a key word in our job. Sharing curiosity, questions, answers, thoughts, ideas. Thinking about crystallography issues from several different points of view gives me ideas to develop new software. And this arises not only from my curiosity and questions, but also and above all from that of my colleagues. It is for them that I write software applications, and it is through their collaboration, support, questions, suggestions and reports that my software can be corrected and improved: for my and their research, and fun!

Software available for free download

In this website several software applications are available for free download. Among them, control software (SINGLE) for revitalising old four-circle diffractometers, and automating new ones! There are specific applications to integrate, reduce and merge single-crystal X-ray intensity data, especially from non-standard experiments. There are several applications to fit equations of state (EoS) and to perform other EoS, elasticity and related calculations, and several applications to perform a number of crystallographic tasks. Just navigate around the Software pages to find further software applications.

More detailed information is available in each software application page and users’ guides.

But, please first read the introduction page to software!

EosFit Workshop 2024

We will teach a 1.5 day workshop on using EosFit on 21,22 March 2024 at the Bayerisches Geoinstitut, immediately after the Annual Meeting of the German Crystallographic Society (DGK) in Bayreuth. Workshop details and registration information here.

Ross Angel

Movie of rigid tilting of tetrahedra in feldspar made with the CrystalMaker software.