v8.6 [Aug 2, 2012]
- Show Molecular Cell Tool Button. The default toolbar now includes a handy shortcut for visualizing molecular crystals: the Show Molecular Cell button (abbreviated "Mol Cell"). This tool is designed for structures where there is no long-range bonding (i.e., those structures where discreet molecular groups are arranged within a crystal lattice, but without direct bonds between the molecules). The tool displays the contents of one unit cell, but optimized so that each molecular group is shown intact (possibly crossing the cell boundary). This is a good way to start visualizing a molecular crystal; you can use the selection tools to further isolate individual molecules. (Note that this, and other related commands, are also available on the Transform > Optimize Range submenu.)
- Scientific Notation Supported in CIF Files. CrystalMaker can now read data from CIF files which use scientific (Exponential) notation for floating-point numbers. Whilst such formatting is very rare - CIF files do not really require such extreme formatting - there are cases of machine-generated files using this formatting, and we are pleased to further strengthen our support for the CIF format.
- Miscellaneous Changes. This version includes minor fixes to the Open Recent submenu and to file import:
- Removed support for the use of the plus character ('+') to designate error bars in CIF files. This was used by the ICSD's 'Retrieve' program, but is not officially recognized in the CIF specification; instead, error bars should be designated using a pair of curved brackets, e.g., 2.341(1).
- Changed the default window toolbar, removing the Range, Hide and Select popup menu buttons, to accommodate the new Show Molecular Cell button. Note that users can easily change the toolbar layout - and apply the default layout, or restore the popup menu buttons - using the Customize Toolbar command.
