New Endeavour Version 1.8
October 11, 2018
A new version 1.8 of Endeavour, our software for crystal structure solution from powder data, has just become available.
The new version contains several improvements and a variety of bug fixes:
- Crystal structures containing molecules/rigid bodies can now be solved directly in a space group other than P1, even if their atoms must be placed on special positions.
- The design of the user interface has been polished.
- The Multiple Document Interface (handling of more than one structure document at a time) now has a tabbed interface.
- The structure solution progress graphics now appears in a docking window, displaying graphs for multiple seed values and/or documents at a time.
- Display of overall cost function in addition to R-factor in progress graphics.
- A new HTML-based online help system replaces the outdated (and not more supported under Windows Vista through 10) "Windows Help" system.
- One single manual and tutorial file containing the (now obsolete as separate PDF files) "Endeavour Kernel Scripting Reference", "File Formats", and "Quickstart Tutorial", cf. "Help/Manual and Tutorial".
- The latest settings (when you close Endeavour) are now stored in the Windows Registry (HKEY_CURRENT_USER\Software\Crystal Impact\Endeavour) rather than in the "Endeavour.ini" file in the "C:\Windows" directory.
In addition, a variety of bugs has been fixed:
- "Failed to launch online help" message:
The outdated online help system basing upon "Windows Help" (Endeavour.hlp) has been replaced by a new HTML-based online help system (Endeavour.chm).
- On some Windows 10 systems, Endeavour crashed when you clicked into a row, e.g. in the table of atomic parameters or in tables in several dialog windows.
- Weakening of the repulsion between two neutral atoms, if their distance was smaller than the minimum distance.
- Swapping of positions of rigid bodies was permitted even though they were fixed to a certain position (being only allowed to rotate). As a result, it looked like originally fixed molecules were moving.
- When you changed between different configurations (e.g. "Select configuration" command in the configuration list context menu) and some of the atoms had S.O.F. < 1, these S.O.F. were not copied to the current structure parameters (i.e. appeared as 1 in the atomic parameters dialog, for instance).
- Results Report was not updated correctly when changing between configurations.
- Export of diffraction data in Ihkl format wrote Fhkl rather than Ihkl values into the output file.
- Several minor bugs have been fixed as well.
Endeavour users should
use the online update function (menu "Help/Online update") and/or check our Endeavour Update page.
Endeavour Demo Version and Information
If you would like to learn more about Endeavour, please
visit the Endeavour web page.
where you can also download a demonstration version free-of-charge.