University of Oxford
The CRYSTALS software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS. Download CRYSTALS here.
SIR and SHELXS provide the direct methods. CRYSTALS and Cameron provide everything else including
A project is well underway (and included in the distributed version) that aims to provide novice users of CRYSTALS with the expert decision-making tools required for undertaking unsupervised structure determination.
We believe that X-ray structure determination should be available as a routine analytical technique for synthetic chemists. X-ray crystal structures provide results that are very easy to understand compared to other analytical techniques, and with modern hardware the entire experiment and analysis can be completed in a morning.
Over the last year feedback from users has enabled us to significantly
improve the ease of use and features of the program.
The current CRYSTALS software package is freely distributed over the Internet to academic institutions.
Several conversion utitlities are also provided:
The programs are currently available for the Microsoft Windows 95/98/Me range and the NT/2000/XP range of operating systems.
A full implementation with graphical interface should soon be available for Linux. Any programmers wishing to help with debugging the Linux port should get in touch...
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