Rotation Movie Export. QuickTime movies of continuously-rotating structures can now be automatically generated, via a new File > Export > Rotation Movie command. You can specify the number of frames and the time to complete one full rotation. Checkboxes allow for looping and 'auto play'.
Direct QuickTime VR Movie Export. QuickTime VR object movies can now be exported via a single menu command (File > Export > QTVR Movie), instead of having to use the Video Recorder palette.
Please note that the former File > Export > Video command has now been removed. This command simply displayed the Video Recorder palette, and duplicated the existing Window > Palettes > Video command.
XYZ File Import/Export. CrystalMaker now supports the *.xyz file format, with automatic format recognition, allowing seamless drag-and-drop display of data. You can also export in the *.xyz format, via the File > Export submenu.
Improved Data Input Performance. Significant changes have been made to the file I/O subsystem which should improve performance when reading files with multiple datasets, animating Views and Files pane thumbnails, and performing Undo and Redo operations.
Miscellaneous Changes. This version includes numerous subtle enhancements and some bug fixes:
The default frame rate for QuickTime movies has been increased from 6 to 12 frames per second (fps).
QuickTime frame rates and Rotation Movie settings are now automatically saved in the user's Preferences.
Database codes are now extracted from AMCSD-derived CIF files, and copied to the Notes pane (and the window title, if appropriate).
Labels are again correctly scaled when copying or exporting images (File > Export > Graphics or Edit > Copy Graphics).
SHELX files that omit site-occupancy fractions and isotropic temperature factors, can now be read.
Fixed a crash which occurred when calculating polyhedral geometries during deletion of atoms when the minimum bond distance had been set to a value other than 0.
When reading CIF files, hash ('#') and underscore ('_') characters are now handled correctly.
The Status Window now updates progress messages more reliably.
Detection of SHELX file types is now more robust.
A new edition of the CrystalMaker Setup Guide has been published. This is provided in print form with the full program, and is also available, in PDF format, from the Help menu.
Several structure files have been added to the Crystal Structures Library.
Improvements to File Handling. This version includes changes to the way in which CIF files are imported and exported and better auto-detection of SHELX files.
Improved Graphics Rendering and Export. The graphics export has been improved, and various scaling problems are now resolved.
User-Interface Enhancements. Various subtle changes have been made to the interface to improve the look-and-feel and improve system compatibility.
Miscellaneous Changes. This version includes numerous miscellaneous enhancements and bug fixes:
New File Export Options. New text files can now be exported from CrystalMaker, giving you more options when you need detailed information about your structures.
The File > Export > Visible Coordination command generates a text file that summarizes the connectivity of the displayed structure.
The Visible Coordination text file lists each atom that is visible on screen. After each atom is a list of the bonded neighbours (if any) and their distances, and the resulting coordination groups are separated by blank lines.
The Export > Crystal Coordination command is designed to provide an accurate summary of the coordination states in an ideal crystal lattice.
The resulting Crystal Coordination text file lists every atom in a single unit cell—regardless of whether or not this atom is visible on screen. If global bond specifications have been defined, then CrystalMaker will use these to generate a list of nearest neighbours for each atom. The resulting coordination groups are separated by blank lines.
Please note that, unlike the Visible Coordination command, the Crystal Coordination command uses crystal symmetry to provide a complete bond listing for the unit cell, regardless of the current plot range and atom site visibilities.
Notes Pane Improvements. Several improvements have been made to the behaviour of the Notes pane in the Graphics window:
Miscellaneous Changes. This version also includes various other miscellaneous improvements and bug fixes:
Installation and Licensing Improvements. Substantial changes and upgrades have been made to the Installer and Updater software, to improve general performance and stability, and for improved compatibility with Windows Vista, roaming profile accounts, and installation by non-Administrator users.
Resetting from single- to multi-user license codes using the Help > Reset Licence command is now handled correctly. The user will be asked to quit the application; the licence change will be performed, and any necessary files moved to new locations as appropriate (e.g., the Examples folder will be moved either to the user's or the All Users documents folder).
Other changes to the way installations and updates are handled include the following:
Users are now alerted 14 days (rather than 10) before a licence is due to expire.
The user's My Documents folder, which may be located on a remote share, is now correctly identified.
File associations are now always stored on a per-machine basis. Individual user associations are still maintained by Windows.
Following installation of multiple applications from the CD-ROM, CrystalMaker now remains the default application for handling its file types. Any changes made by the user after installation are respected, unless the application is re-installed.
Automatic uninstallation of earlier versions is now more reliable, and no longer require system restarts as often.
The Installer log file (often useful when contacting Technical Support), is now stored in the CrystalMaker Software folder in the Common application data folder, and is updated by any user's installation. Existing logs are merged into the common log on update.
User name and organisation strings passed on the command line to an Installer (usually for silent installations), are now properly stripped of leading and trailing quotation marks.
A number of spurious run-time errors have been eliminated.
NOTE: Non-administrator and roaming profile users may wish to re-locate their existing Examples, Crystal Structures Library, and Multimedia folders, which may have been installed in incorrect locations.
NOTE: Users who have purchased (not updated to) version 2.2.0 and have installed it for All Users should contact Technical Support.
Miscellaneous Fixes and Enhancements. This release contains a number of significant fixes and improvements. Among these are the following:
Rotation with Arrow Keys. Rotation can now be performed using the arrow keys when the Rotate tool is active. Rotation applies to structure or selection, depending on state of Rotate All/Rotate Selection setting, and can also be used in temporary rotation mode (when the space bar is held down to temporarily activate the Rotate tool). Left and right arrows rotate about the screen Y axis; up and down rotate about the screen X axis. Holding down the shift key whilst pressing any of the arrow keys, rotates about the screen Z axis.
Installer Improvements. The following changes have been made to the Installer and Updater to correct their behaviour on certain installations, particularly those involving Roaming Profile accounts or multi-user licences:
Stability Improvement. A potential problem, due to a bug in Microsoft libraries used by CrystalMaker's shell extension, in which the Windows Explorer could occasionally hang when displaying CrystalMaker binary file icons, has been corrected.
Spectacular Red/Blue Stereo. CrystalMaker now supports red/blue colour stereo plots, as well as enhanced, high-contrast stereo plots in greyscale and black-and-white rendering modes. To view coloured 3-D stereo models, simply choose Stereo Red/Blue from the Rendering menu, and leave the colour mode set to Colour.
Please note that when using Red/Blue Colour Stereo, you may wish to edit some of the colours in your plot: specifically, colours with hues close to pure red or pure cyan (since these are filtered out by the right and left lenses, respectively, of your red/blue spectacles). For best results, choose colours with hues that are intermediate between red and cyan (i.e., the colour ranges orange-green and indigo-blue).
Comprehensive New Background Gradients. The Background pane of the Model Options window now provides extensive new gradient shading options. The old Up and Down gradient options have been replaced by a Linear gradient, and the Inward and Outward options have been replaced by a Diamond gradient. Two brand new options, Radial and Reflected, plus new Angle and Scaling sliders, give professional-level control to your model display.
Gradient starting and ending colours can be now be specified independently of the 'plain' background colour, and clicking the double-arrow 'flip' button quickly swaps the start and end colours.
Gradient fills specified in existing CrystalMaker binary data files will be converted to the new format so as to preserve the previous appearance as much as possible.
Live Model and Rendering Controls. You can now adjust almost all Model and Rendering Options settings in real time by holding down the Control key as you click a button or adjust a slider control in any of the panes in the Model Options or Rendering Options windows.
Model, Rendering, and Overview Toolbar Menus. The Model, Rendering, and Overview toolbar buttons are now clickable popup menu buttons: Click the button as usual to toggle the display of the palette window; click and hold to display a popup menu to display specific panes.
Disposable Thumbnails. Any thumbnail image in the Files, Views, or History panes of the Overview window can now be deleted simply by dragging it out of the pane and releasing the mouse button (this is in addition to the standard Delete menu option in the Overview window's Action popup menu button).
Updated Crystal Structures Library. New organic molecules have been added to the Crystal Structures Library: taurine, pyridoxine, pantothenic acid (vitamin B5), niacin (vitamin B2), and aspartame.
Installation Enhancements. A number of significant enhancements have been made to the CrystalMaker Installer and Updater:
Miscellaneous Changes. This version includes a number of minor changes and bug fixes, including the following:
Extended Density Calculations. The Transform > Calculate Formula & Density command now includes additional data. Density is now given in both conventional kg/m3 units and traditional g/cm3 units. In addition, the number of atoms per unit volume is calculated and printed in the Log pane of the Overview window.
The File > Export > Bond Data now generates density information as well.
File Handling Changes. Shortcuts (links) to data files or folders can now be dragged and dropped onto the Graphics or the application icon; links contained within dropped folders will also be resolved.
All Open and Save File dialogs now track the file type most recently selected by the user, and the last directory to which a file was saved.
Improved Main Frame Window Dynamics. The Main Frame window can now be resized across multiple displays, either by dragging its edges, or by clicking its maximize button - or in Full-Screen mode.
Please note that when the Maximize command is used, the Main Frame will expand to fill the nearest display.
When entering Full-Screen mode, the Main Frame window will occupy the full virtual desktop, covering all displays. You should ensure (using the Display control panel under XP or the Display Settings control panel under Vista) that the primary display is aligned at the top of the virtual desktop so that the items in the drop-down menu bar will be accessible when the mouse is moved to the top of the display.
Enhanced Colour Picker. The colour picker window, displayed when a colour selection button is clicked, now shows a suite of standard CrystalMaker-specific colours. The new picker also displays custom colours and retains them across application launches.
You can define custom colours by clicking the More Colours button in the picker, and using the standard Windows Colour dialog to add colours to the custom colour set.
A minor issue in which the colour picker and dialog were not displayed on secondary displays has been corrected.
Workaround for Ad-Aware Issue. A bug in a recent version of Lavasoft's Ad-Aware anti-malware utility caused a kernel memory leak, which was especially noticeable whilst using CrystalMaker products for Windows. This release mitigates the problem significantly; it should no longer be a major issue for users who have Ad-Aware installed on their systems.
Lavasoft are aware of the problem, and will shortly be releasing an update to their software that fixes the problem. Users of Ad-Aware are strongly urged to download and install the update as soon as it becomes available.
Miscellaneous Changes. This version includes a number of minor changes and bug fixes:
Help Viewer. A new Help Viewer window is now available for the online help system. This floating window allows help topics to be displayed within the program, without disrupting the window visibilities, and without requiring use of an external program (such as a web browser).
Choosing any online Help item from the Help menu opens the new Help Viewer. As with other floating (palette) windows, this window remembers its position and visibility, and loads the last Help page visited when opened.
Clicking on a link to an Internet-based Web page (or any other file which lies outside the CrystalMaker Help folder, or which is not HTML) will open a default application.
Improved CIF and SHELX Support. CrystalMaker can now process special-case SHELX files with constrained or refined site occupancy data. CrystalMaker reads free variables (FVAR cards) from the SHELX file, and uses these to decode site occupancy factors from the supplied data (which may include large negative values).
In addition, when reading CIF and SHELX files, site occupancies are now sorted in descending order by occupancy ratio, ensuring that sites are associated with the dominant element.
Enhanced Optimize Range Commands. The Hide/Repair Molecular Fragments commands are now significantly faster, especially for larger structures. In addition, if these commands fail (i.e., the structure is not a molecular crystal), the previously displayed structure is now correctly restored.
Improved Support for Multiple Displays. All window positions, including those of palette windows, are now correctly calculated, retained, and restored on systems with multiple displays.
When entering full-screen mode, the application will now fill the screen of the display on which most of the Main Frame window resides.
Model Options Enhancements. Several changes have been made to the performance and appearance of the Model Options dialog:
Miscellaneous Changes. This version includes a number of minor changes and bug fixes:
Assemble Views using Drag-and-Drop. Window views can now be created simply by dropping any CrystalMaker binary or text file directly into the Views pane.
This provides a quick, easy, and intuitive way to assemble the frames of an animation or movie. Just drop the files you need directly into the Views pane. Each file is loaded into the current Graphics window and a corresponding thumbnail (or set of thumbnails for a multi-structure file) appears in the Views pane.
You can also add multiple Views to the Views pane by clicking the window's Add (+) button, and using the resulting Open File dialog to select your files.
Window views can be synchronised, rearranged, updated, or deleted before being displayed as an animation (Actions > Play) or exported to a movie (Actions > Save as Movie).
Improved HTML Output. Web page output has been greatly improved. Oversize graphics are now scaled down to fit within the page size. Data tables are more attractive and now contain far more information, including:
Edit Bonding Changes. The Auto Set Range checkbox has been removed from the Edit Bonding dialog, to simplify the interface. When a bond is created, CrystalMaker will use the sum of the element radii to calculate an appropriate maximum bond length (which can then be edited).
In addition, a problem in which coordination information was not properly initialised for certain classes of bonds has been corrected.
Improved Shell Interaction. CrystalMaker now uses an improved mechanism for handling dropping of files onto the application's icon or double-clicking of files from Explorer windows. This should result in better performance and reliability, especially on Windows Vista.
Performance Improvements. Significant improvements to performance have been made in a number of areas, including:
Miscellaneous Changes. This version includes a number of minor changes and bug fixes:
Torsion Angle Signing. Torsion angles, measured using the Torsion Angle tool, are now signed.
The torsion angle between four atoms A-B-C-D is the angle by which the vector A-B must be rotated in order to eclipse the vector C-D when viewed along the vector B-C. Torsion angles are generally expressed in the range −180° to +180°. According to convention, a positive sign denotes a clockwise rotation (of the vector A-B), and a negative sign denotes an anticlockwise rotation.
Powerful Atom Info Tool. This tool now provides much more detailed information about the clicked site. Clicking the small 'i' button in the Atom Info 'tool tag', now results in the Log pane of the Overview window being made visible, with the following data printed:
Improved ATOMS File Support. Spacegroup symbols and origin choices are now read from text files in the ATOMS format, thereby avoiding problems with possible missing symmetry generators in such files. Bond and polyhedral specifications are now merged, to ensure more consistent results in CrystalMaker.
An additional feature is that ATOMS files with *.str extensions can now be loaded using the File > Import command (although most users will probably prefer to use the File > Open command, or drag-and-drop).
Extended CIF Output. Site occupancy data and atomic displacement parameters ('thermal ellipsoids') are now exported to the CIF format.
Miscellaneous Changes. This version includes a number of minor changes and bug fixes:
User Interface Enhancements. All Views created when opening a multi-dataset file are now numbered, making identification easier. In addition, a problem whereby thumbnails would vanish following cancellation of a 'Save Changes' alert (during quitting) has been resolved.
Other interface changes include an improved window toolbar, with new separator lines and improved popup menus (arrows no longer overlap text in 'Text Only' mode).
Miscellaneous Changes.
Numerous new features, enhancements, and improvements are available in this major new update:
Live Rotation Link with SingleCrystal. This version of CrystalMaker and a new version of SingleCrystal (1.1) can be linked so that rotating a crystal structure in CrystalMaker causes the corresponding diffration pattern in SingleCrystal to rotate (and vice versa). The 'live rotation' can be toggled on or off, via the Transform > Diffraction Pattern > Live Rotation menu.
New Plane-Fitting Algorithm. The Transform > Lattice Plane > Fit Through Points command uses a more accurate starting model, with a subsequent least-squares refinement process, resulting in more precise and reproducible results.
New Porosity Calculation. The new Transform > Calculate Porosity command calculates the amount of free space in a crystal. The result depends on your currently-specified atomic radii, so you may wish to edit your settings before you choose this command (e.g., via the Edit > Elements command).
CrystalMaker uses geometric considerations to calculate the precise amount of free space, taking into account the atomic volumes and any nearest-neighbour intersections (this is not an 'available space' algorithm). Please note that this algorithm is not designed for extreme cases with over-large atoms causing multi-neighbour intersections.
New File Formats. CrystalMaker now supports importing of version 4 and version 5 ATOMS files, as well as Molfile and SDfile formats from Molecular Designs Limited (MDL, now owned by Symyx).
Window Toolbar. The Graphics window now supports a toolbar which provides handy shortcuts to commonly-used features, such as showing or hiding the window notes, sidebar or grid, setting view direction and range, and synchronizing windows/views.
The toolbar can be extensively customised, using a contextual menu. Alternatively, three pre-set layouts are available from the Window > Toolbar submenu.
View Direction Menu Button. The window toolbar's View button now has a popup menu, allowing you to quickly set the orientation along commonly-used directions (e.g., a, b, c, a*, b*, c*, etc.).
Open Multiple Files as Separate Views. Opening multiple CrystalMaker binary files into the same Graphics window now results in each structure being opened, as a separate view, in the same window.
Save Window Views. A new Save Views item in the Overview window's Actions menu results in each window view being saved as a CrystalMaker binary file.
Revised Element Editor with Live Switching. A new Live Update checkbox has been added to the Element Editor window (Edit > Elements). With this option enabled, you can browse different element tables (e.g., via the window's popup menu), with your structure automatically replotted.
A new 'SAR Covalent Radii' element table file has been added to the standard installation, and is available for selection in the Edit Elements window. This table, (provided courtesy of Prof. Santiago Alvarez, University of Barcelona), gives updated covalent radii values.
Lattice Plane Support in Angle & View Direction Windows. 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.
New Animation Option. When choosing the Play command from the Action menu in the Overview window, you can now choose between either unidirectional (left-to-right) or bidirectional (back-and-forth) looping.
Synchronise Again Toolbar Option. Users can now synchronise more quickly, suppressing the Synchronise Options sheet, and using the last-specified settings. Simply hold down the shift key whilst pressing the Synchronise toolbar button.
New Plot Range Controls. New controls allow easier adjustment of plot ranges in the Plot Range window ( Transform > Set Range). Multiples of unit cells can easily be added or removed, and there is the option of automatically rescaling the resulting structure to fit within the Graphics pane.
More Powerful Spacegroup Recognition.
Spacegroup symbols that use parentheses
to designate subscripts (International
notation) can now be recognised. For example,
P 2(1)2(1)2 for
P 21 21 2.
This should mean that CIF and other file formats
(e.g., originating from Bruker) are
easier to load.
Performance and Usability Enhancements. A number of existing features have been improved or had new capabilities added:
Improvements and Fixes. A number of outstanding issues have been addressed in this release:
New Help Menu Features. The Help menu now includes two new commands, giving access to a PDF version of the printed Setup Guide, and easy access to the 'What's New' section of the Online Help. Another improvement is that pressing the F1 key should no longer open multiple Help windows.
Faster File Import. Multi-structure PDB and CIF files are now loaded up to four times faster than before. In addition, the Overview window's Files pane now receives dropped files ten times faster than before, making it easier to build up file collections and browse them.
Smooth Site Browser Updates. The Site Browser (both in the palette window and the Sidebar pane in the Graphics window) now behaves less obtrusively: flicker in the Site Browser when loading structures has been greatly reduced, improving appearance and performance.
More Flexible Installation. The CrystalMaker for Windows Installer now allows installation by users who are members of the Power User group, in addition to Administrators.
Flicker-Free Video Recording. The Video palette controls are now updated more reliably and no longer flicker during recording. Switching between two identically-sized Graphics windows during a video recording no longer causes the image from the window not being recorded to appear in the movie. Closing a Graphics window in the middle of a video recording no longer causes a crash.
Better Spacegroup Handling. In the Spacegroup Browser, clicking on a spacegroup item after clicking the Show All Settings checkbox no longer causes the list to scroll to the top and lose the selection. Spacegroup symbols are no longer converted to full international format when being written out to CrystalMaker binary files; the user's specification is preserved.
Vista List-Editing Bug. On Windows Vista, editing scrollable lists could be problematic, as the system caused the list to scroll back to the first column when an editable item was clicked - with the possibility that the editable item was scrolled out of view. This problem has now been addressed, and horizontal/vertical scrollbars now appear as required. In addition, pressing the Escape key now ends an editing session and discards any changes.
PDB Connectivity Data. A problem with 'mangled' bond data in exported PDB files has now been resolved. When exporting a PDB file, all visible sites are listed in the output file, together with their serial numbers and full connectivity information.
Miscellaneous Changes. Various additional, miscellaneous improvements and bug fixes have been included in this release:
Improved Drag-and-Drop Behaviour. When dropping a file into a Graphics pane, the associated Graphics window is now brought to the foreground and the file opens in the target window as expected.
Dropping files or folders into the Graphics pane now loads the files into the same window sequentially and adds their thumbnails to the Files pane. (Dropping files into the Main Frame background opens the files in separate windows.)
Revised Sidebar Control. When switching Workspaces (using the Window > Workspace menu commands), the Notes and Site Browser (Info) panes are now shown or hidden as appropriate to the Workspace.
The Sidebar pane states are preserved when switching out of Full Screen mode, or when opening new Graphics windows, and the Window > Sidebar menu now behaves correctly.
Improvements to Auto Rotation. The Auto-Rotation dialog now checks to ensure that the oscillation period is greater than the rotation interval. The menubar is now hidden during auto rotation in Full Screen mode; pressing the Escape key will now cancel the auto rotation (press Escape again to leave Full Screen mode).
More Seamless Synchronization. Improvements have been made to the design of the Synchronise dialog, and to the subsequent behaviour, so as to make the entire operation more seamless and responsive.
When synchronising window Views, the Graphics window is updated more cleanly, with View thumbnails refreshed in sequence, thereby providing feedback as to the progress of the operation. An issue relating to synchronization for a maximised Graphics window, has also been resolved.
Enhanced Play Command. The Play command, available from the Actions menu in the Overview window, has been refined, and no longer results in generation of spurious History events, or a progressive slowdown in performance over time. Cancelling Kiosk mode no longer results in palette windows being hidden, or dimming of items on the Window > Palettes submenu.
Miscellaneous Changes. Various additional, miscellaneous improvements and bug fixes have been included in this release:
Improvements to Spacegroup Handling. The Spacegroup Browser has been improved in two ways: unconventional spacegroups are displayed using Short International symbols (where possible), and a problem which could cause the application to hang when searching for particular spacegroups has been fixed.
General equivalent positions, specified using floating-point offsets (as opposed to the more usual fractional form) can now be read from SHELX and other text files.
User Interface Enhancements.
Miscellaneous Changes.
Improved Tool Tip Support. Tool tips have been re-enabled for the Tools palette, and tooltips are now available for virtually all dialog and palette windows.
Installer Enhancements. A number of improvements have been made to the Installer and Updater to ensure a more consistent and stable application environment.
Miscellaneous Changes. A potential memory corruption problem, arising from the import of one or more invalid text data files, has now been fixed.
Enhanced CIF support. Error values for cell parameters and fractional coordinates can now be read from CIF files. These data are used in the program's error propagation, when measuring interatomic distances on screen, via the Transform > List Bonds command, or in the File > Export > Bond Data command.
Installer and Updater Enhancements. The Installer is now more flexible, allowing installation of non-core components without overwriting an updated application.
Improved Printing. Printing from CrystalMaker has been improved to ensure that output is correctly scaled to fit the page. Both red-blue and stereo-pair plots are now printed correctly. Rendered bond cylinders and textboxes with lines are both now output correctly.
Video Output. A number of improvements have been made to video output. Video output quality can now be previewed, using the Compression Options dialog. Linear and QTVR movie frames are again recorded properly, and the Video Recorder palette's controls are now updated correctly following the completion of recording.
Annotation Issues Addressed. The Selection > Select > Textboxes command now correctly selects all annotation objects; the Edit Annotation palette is now correctly displayed, and annotation objects are correctly scaled in stereo-pair plots.
Improved Bond Data Export for Molecules. The File > Export > Bond Data command now gives more specific information for structures in molecule mode. Atom numbers, labels and orthogonal coordinates are summarised, followed by the standard listing of bond distances and angles for each atom.
Miscellaneous changes. This release includes a number of minor changes and bug fixes, which are listed below:
Save Files command. A new Save Files command has been added to the Action menu in the Overview window. This sequentially opens and re-saves all files represented in the Files pane, allowing you easily to update your CrystalMaker binary files to the latest format (with the added benefit of embedded file previews).
More Play Options. 0.1, 20, 30 and 60-second intervals have been added to the Time per structure menu in the Play Options dialog.
Easier File Favourites. The Overview window's Add (+) button is now enabled for the Files pane. This allows you to add files to the Files pane using a standard file dialog.
Miscellaneous changes. This release includes a number of minor changes and bug fixes, which are listed below:
Workaround for editing issues. Tabbing while editing to the last column of the Edit Molecule dialog no longer crashes the application. Tabbing between list control fields in Windows Vista now works. Editing of cell parameters in the Edit Crystal dialog now works correctly and the Backspace and Delete keys can now be used in this dialog.
Vista document icon fix. CrystalMaker document icons now correspond to the correct document types, and double-clicking CrystalMaker data files will now launch the app and open the file as expected.
(Note that drag-and-drop of multiple files onto an unlaunched application icon under Vista is not entirely reliable, and will be addressed in a future release.)
Miscellaneous changes. A number of minor issues have also been addressed in this release:
New version. This program is a major new version of CrystalMaker, providing the ability to work rapidly browse through massive numbers of structures, make animations, slideshows and movies. Other key features include editable thermal ellipsoids, thermal ellipsoid/sphere override, PDB crystal input and much more...