Here we list free access software, useful in our research


Bilbao Crystallographic Server

Numerous crystallographic programs and databases accessible online



The CCP14 (Collaborative Computational Project No. 14) in Powder and Small Molecule Single Crystal Diffraction was initiated in 1994 to collect the best and most commonly used programs. The software located on the CCP14 site is freely available to academic users.


Clemens Prescher Website

Free software applications for data processing in X-ray diffraction (DIOPTAS), Mössbauer spectroscopy (MossA), and electron energy loss spectra (EELSA)


ESRF Unit of Data Analysis Software

The mission of the Unit is to:

  • Develop, maintain, find and improve data analysis programs and, more specifically, scientific software needed for data analysis at the ESRF
  • Integrate scientific modules in the on-line data processing workflow of ESRF beamlines
  • Compilation, parallelising and/or distribution, maintenance, troubleshooting and upgrade of large computational codes, as well as writing link modules between some of them
  • Integrate data analysis tools into visualisation software in collaboration with the other software units



Marcin Wojdyr's curve fitting application


Innokenty Kantor's Homepage

Online routines to calculate pressure inside DAC using various standards


Koichi Momma Website

Crystallographic software including VESTA package for structure visualization


Ross J. Angel Website

Free software applications for crystallography


Tim Holland's software pages

Details of the thermodynamic data base and software for calculating phase equilibria and forward-modelling of mineral assemblages and reactions in metamorphic rocks (UnitCell, CHO, Hb-Plag, AX, THERMOCALC)



The program package for multipurpose geometrical and topological analysis of crystal structures


Yusuke Seto's Homepage

Software for crystallographic data processing