Live Rotation Link
CrystalMaker and SingleCrystal can now be linked, so that rotating a structure in CrystalMaker causes the corresponding diffraction pattern to rotate in SingleCrystal (and vice versa).

To initiate the live link, enable CrystalMaker's Transform > Diffraction Pattern > Live Rotation option, then simulate a diffraction pattern directly from CrystalMaker, using the Transform > Diffraction Pattern > Single Crystal command. Your current structure is now linked with a new window in SingleCrystal.

To stop the live link, simply uncheck the Live Rotation menu command.

New File Formats - with Faster Loading
Elsevier-MDL "Molfile" and "SDfile" formats are now auto-detected and loaded by CrystalMaker. As with other multi-structure formats (e.g., PDB and CIF), the individual structures saved in an SDfile are loaded into the same window, and represented by thumbnails in the Views pane.

CrystalMaker 8.1 also features much faster auto-detection and loading of text files that have recognized file extensions. This improvement is most noticeable with larger, multi-structure files, such as PDB, CIF and SDfile formats.

Enhanced Plane/Angle Calculations
A new, two-stage algorithm is now used for fitting a lattice plane to a set of selected atoms. The algorithm uses a more-accurate starting model, with a subsequent least-squares refinement process, resulting in more precise and reproducible results, that are largely independent of the starting orientation.

The orientation of the last-displayed lattice plane can now be recalled in the View Direction or Calculate Angle windows. Both of these windows now feature popup menus, to the right of the orientation fields, which include the lattice plane normal.

This new feature streamlines the process of calculating angles between planes, for example, the angle between two benzene rings in a molecular crystal:

Porosity Calculation
The amount of free space in a crystal can now be calculated, using a new Transform > Calculate Porosity command. This command uses the currently-set sphere radii for its calculation, taking into account first-nearest-neighbour sphere overlaps.

Productivity Features
Existing CrystalMaker binary files can now be dragged-and-dropped into the Views pane of the Overview window. This should facilitate the building of movies or animations, by allowing previously-saved files to be easily added (en masse) to an existing project.

Colour buttons, used for setting the background colour(s), unit cell and axial vector colours, surface colour, lattice plane colour, and so on, now include popup menus with colour shortcuts.

A new Live Update checkbox has been added to the Element Editor window (Edit > Elements), letting users browse different element tables (e.g., via the window's popup menu), and have their structure be immediately replotted.

Miscellaneous Changes
CrystalMaker 8.1 contains a myriad of miscellanous improvements. These include a redesigned lattice plane sheet, mouse-wheel support for Atom and Bond Options lists, and more powerful Synchronize command, Chemical/MIME support and improved drag-and-drop.

This program has been designed to support the latest system features on the Mac platform, and we strongly recommend that existing Mac users take advantage of our low-cost upgrade schemes, in order to benefit.