Known Bugs in Endeavour

The latest version of Endeavour is version 1.6, released on August 1, 2008. A software patch is available for users who are still using earlier versions (see Update page).

Known bugs in current version

• There is still a limitation to 1600 atoms in the parameter list when you read data from a ShelX formatted file. [Feb 15, 2008]
• When you run Endeavour without administrator rights, the automatic online update function fails. (This is ok, since you have no write access to Endeavour program directory.) But disabling the checkbox "Check for available updates when starting" takes no effect, so you will receive the error message whenever you start Endeavour unless you run Endeavour with administrator rights and switch off the automatic online update checking. [Feb 29, 2008]
• The toolbars may arrange in a way different from when you finished Endeavour the last time, especially when different users on a computer log in and out. [Feb 29, 2008]  

Bugs that have been resolved in version 1.6

• Demoversion reported error "licence expired" without any reason, so Endeavour did not run in full featured mode for two months
• Kernel crashed if more than 50 atoms were present in the parameter list
• Fixed atoms did not hold their position or were even deleted
• If the Endeavour document file name contained blanks, the kernel did not start the calculation.

Bugs that have been resolved in version 1.5a

• If a CIF file contained only a "data_global" block AND blank lines preceded the "data_global" line, Endeavour reported an error message "No structure data found...". 
• When you ran a structure solution in a space-group other than P1, then changed the space-group and ran again, you might receive an error message "Error position nnnx not found in space-group Y..." where nnn and x are multiplicity and Wyckoff letter of the position in the space group with Hermann-Mauguin symbol Y. Reason: After the first structure solution, the atoms have definite positions, which remain unchanged after you change the space-group for another solution. In most cases these Wyckoff positions then become invalid.
• When you chose a space-group setting on page 1 of the structure solution wizard where no Wyckoff position information was available, the structure solution stopped with an error message "Error position...not found in space-group... Probably unknown setting."
• When you set the "Cost function balance" (page 6 of structure solution wizard) to 0 (leftmost position, i.e. potential energy was considered only but not the differences in diffraction data), the structure picture etc. was not updated during calculation and when calculation was finished. "Undo" was not available for that solution step, too.
• The Angstroem symbol was not correctly readable on Japanese Windows versions, e.g. in "Powder Pattern Settings" dialog (Diffraction menu).

Version 1.5

• This version had some changes but no bug fixes and was released on June 29, 2007.

Bugs that have been resolved in version 1.4a

• This version was released on January 26, 2007.
• Dummy atom scattering factors were not written into Endeavour kernel script file when single dummy atoms were placed or at least one rigid body molecule contained at least one dummy atom. (It already worked for non-placed single atoms.)
• Lennard-Jones potential parameter fit could not properly consider atoms from a CIF reference structure file when no oxidation numbers were given.
  The number of reference structures is not more limited to 5.
• The settings for "placed" molecules: "fixing" and "allow rotation" got lost after an optimization run of the Endeavour kernel.
• Endeavour "forgot" about the fixing of atoms if more than 50 atoms were present in the asymmetric unit.
• The "Assign peaks" dialog (called from page 4 of "Structure Solution Wizard") did not list and draw calculated peak positions, if total 2theta range in "Powder pattern settings" dialog (can also be called from page 4 of wizard) was set to "auto".
• Several bugs led to problems if an interrupted calculation was continued ("restarted").

Bugs that have been resolved in version 1.4

• This version was released on July 13, 2006.
• Endeavour crashed when a molecule was marked as selected in the list of the "Define molecules" page (page 2 of 7) of the "Preparation of structure solution" wizard, and that molecule was deleted in the dialog "Molecules" that is opened via the "Place molecules..." button (formerly named "Advanced settings...").
• Nonsense text when switching the fixing flag for a selected molecule in the "Molecule" dialog that is opened via the "Place molecules..." button (formerly named "Advanced settings...") from page 2 of the "Preparation of structure solution" wizard.
• Formerly defined rigid-body molecules were not available in the drop-down list "Molecules" of page 2 of the "Preparation of structure solution" wizard. (They were not read although listed in the ENDEAVOUR.INI file.)
• After adding a molecule on page 2 of the "Preparation of structure solution" wizard neither Tab nor Enter or Escape key worked. (To continue with the next page of the wizard, you had to use the mouse.)
• When you exported a structure into CIF format and at least one atom symbol was blank (cf. command "Structure/Atomic parameters..."), the CIF caused trouble when reading into Endeavour again.

Bugs that have been resolved in version 1.3b

• This version was released on March 31, 2006 .
• In some cases, if atoms were placed, the "Define atoms in unit cell" page (Page 3 of 7 of "Preparation of structure solution" wizard) showed negative counts in the list.
• In some cases, if all atoms were placed but contained at least some unfixed parameters, the option "Local refinement" was yet possible.

Bugs that have been resolved in version 1.3a

• This version was released on March 8, 2006 .
• If a second or third etc. molecule was referenced in an Endeavour Script input file, the atoms of the second molecule were appended to the atoms of the first read molecule. In some cases Endeavour crashed due to subsequent reading errors.
• In some cases, the symbols of the atoms in the parameter list were not updated after "Preparation of structure solution" wizard.
• When ending the "Preparation of structure solution" wizard with "Create input files only but do not run kernel", the Endeavour document was not marked as modified and the views (structure picture, data sheet, etc.) were not updated.

Bugs that have been resolved in version 1.3

• This version was released on October 26, 2005 .
• Severe bug: Four typing errors in the parameter table for the atomic form factor calculation have been corrected. Affected elements: H, Sc3+, Ru4+, Bi5+.
• Structure picture display on computers with aspect ratio different from 4 : 3:
  • On computers with an aspect ratio different from 4 : 3, e.g. a wide-screen notebook display, objects are mostly distorted, that means you see ellipses rather than circles for atoms etc. This happens in flat mode and rendering mode, except rendering mode with central projection.
  • In rendering mode and central projection, the selection of objects may fail, since the object rectangles may not match the objects' representation on the screen.