New Diamond Version 4.1.4

March 21, 2016

A minor update 4.1.4 of "Diamond", our software for crystal and molecular structure visualization, has just become available. This new version is a maintenance release where some important bugs were fixed as well as some improvements were made:

• The "info tip" for an atom under the mouse cursor now also shows a site occupation factor (S.O.F.), if it is greater than 1.0. (This is useful in cases when one needs to find e.g. which carbon is in fact nitrogen through refinement of occupancy.)
• When exporting a structure picture into XYZ format, the order of atoms is now the same as in the atomic parameter list. (This makes it easier to identify atoms after re-opening of XYZ files.
• The following bugs could be resolved:
  • "Edit/Paste" of a fragment and then changing atom positions could lead to an error or termination of program.
  • "Build/Polyhedra/Construct Polyhedron" with the option to create a dummy atom as center placed the central atom in (0,0,0) rather than in the center of the selected atoms. 
  • "Structure/Add [or Remove] Translational Symmetry": When using slightly different cell parameters, the message "An invalid argument was encountered" could appear.
  • "Edit/Paste": Adding bonds in the pasted fragment could cause an error or termination of program.

Diamond version 4 customers should use the online update function (menu "Help/Online update") or check the "Diamond Version 4 Update Page" for alternative update choices.

Diamond Demo Version and Information

If you would like to learn more about Diamond, please visit the corresponding web page where you can also download a demonstration version free-of-charge.