UoC crest

c2x futures

What changes are expected in future versions of c2x? TCM is used as a test-bed for new features before they make a public release, and things currently in development include:

Improvements to .cif reader

If a .cif file contains co-ordinates to a lower precision such that they are nearly but not quite consistent with the symmetry operations, the co-ordinates are now refined. (e.g. 0.3333 will gain a lot more 3s if the symmetry requires it). (From version 2.11a.)

Enhanced .cube support

E.g. support for multiple datasets in a .cube file.

Support for the convention that a 1x1x1 grid with the value of zero means that the .cube file contains no volumetric data. (From 2.11c.)