Diamond Version 5.1.1 released

October 9, 2025

The new version 5.1.1 of Diamond offers a minor improvement and several bug fixes.

The Save Graphics dialog called from the File/Save As/Save Graphics As command now offers the definition of pixel density (DPI) independent from the picture layout as well as an option to define if and how to use super-sampling for anti-aliasing.

The following bugs have been repaired

• File/Save As/Save Graphics As command: Pixel densities (e.g. 300 dpi for a picture using bitmap layout) were not stored (or the screen DPI instead, which is typically 96 dpi)) in image files of type JPEG, PNG, and TIFF. (In BMP format it worked.)
• Out of memory error when saving bitmap:
  The "Save Graphics" dialog, called from "File/Save As/Save Graphics As", now gives an estimation of required memory for bitmap rendering, especially if anti-aliasing by super-sampling is used and shows a warning, if available memory is critically low.
• TWIN command in Shelx files, leading to a dummy atom at (0,0,0), is now ignored.
• Errors when using Undo after inserting or deleting a structure from a Diamond document have been removed.
• An error has been removed blocking Auto Picture Creator> when loading a ready-to-use structure picture from the Structure Type Database.
• The error that no Diamond windows opens after running Open with command and choosing Another app (in Windows Explorer) when opening a CIF or other foreign format file has been repaired.
• The Structure Info Bar was not readable when opening a file via command line parameter (e.g. from Windows Explorer).
• Standard uncertainties sometimes show "(0)", which is not allowed, and now shows "(1)".
• Saving of effective radii in Diamond section of Windows Registry did not work when changing in Build/Atom Groups dialog.
• When loading a file with mixed sites value ranges are (correctly) given in the input field for effective radii, but after saving (diamdoc file) and re-opening the file it shows the mean value rather than the value range instead.
• In some cases atom vectors could not be selected, e.g. with mouse-click.
• Slightly deviating distances around highly symmetric atom sites: A rounding error has been removed.
• Under Edit Design Scheme-> Polyhedron Type Designs the symbols for "Center", "Ligands", and "Coordination" could not be edited.
• File paths could be missing in Recent Pictures Buffer for unsaved documents leading to a message prompt showing that Diamond cannot find/open the file.
• Standard uncertainties of atom coordinates of symmetry-equivalent atoms not or not correctly transformed, leading to different values.
• Wrong style "Principal ellipses only" in Atom Design dialog. This error could appear, if two or more atoms with different styles have been selected.
• Mean bond lengths not stored in Registry in some cases when calling Settings from the Bonds page of the Build/Connectivity dialog.
• Selected atom vectors were not listed in Properties view when multiple objects have been selected and using the option "Selected objects in structure picture.

For more details, see our Known Bugs page.

The update to Diamond 5.1.1 is free-of-charge for all customers who own a license for Diamond 5.1 or 5.0.x as well as for Diamond 4. You can update to the new version through the "online update" function in Diamond or download the new version from our Diamond Download Area.

People who are not yet customers of Diamond can download a demonstration version. For purchase options please visit our Diamond Sales Page.