SHELX download

The SHELX download site provides versions for Windows-32bit, Windows-64bit, Linux-32bit, Linux64-bit and MacOSX. The MacOSX version is NOT compatible with (32-bit) OSX versions before 10.6 or with PPC processors! The 32-bit Windows and Linux versions should also run on properly configured 64-bit systems but the 64-bit versions will not run on 32-bit systems. On a 64-bit system, the 64-bit versions are usually a little faster. The programs SHELXD, SHELXL and AnoDe will use all the CPUs they can see, unless restricted by the -t command-line switch, e.g. '-t4'. For very large structures it may be necessary to do this so that enough memory can be used for each thread. The programs are stand-alone executables, so you can rename them as appropriate, e.g. Bruker users may wish to rename CIFTAB to XCIF. No other programs, libraries or environment variables are required (the zero dependency philosophy). Since SHELXE is still being actively developed, the current version has an expiry date (Jan 1st 2017) and it will then be necessary to download an updated version.

For Windows the installation file should be downloaded and executed. The installer will prompt for the folder to store the executables. If this is not already in the PATH it will be necessary to put it there (further details). Alternatively individual Windows executables may now be downloaded in the same way as the Linux and Mac versions.

For Linux and MacOSX the programs should be copied to a folder that is in the 'PATH', e.g. ~/bin/ for local use or /usr/local/bin/ for all users, unpacked and the execute flag set, e.g.

bunzip2 *.bz2; chmod ugo+x *

The folder test_data contains the same files that can be downloaded using the links at various places in the homepage. The ciftab templates are the same as provided with earlier versions of ciftab, and may be renamed to xcif.* for use with xcif [to obtain xcif, simply rename the ciftab executable to xcif (or xcif.exe for Windows)]. Note that if you wish to use templates that you had prepared for use with older .cif files, you may need to edit them to update deprecated CIF names!

You may now download the programs. When prompted you will need to enter the username and password that you received by email on completing the registration.