CCDC




Technical FAQs

Which platforms are supported?

Mercury 3.0 is supported on the following platforms and operating systems:

  • Windows - Intel compatible Windows XP/Vista/7
  • Linux - Intel compatible, 32 bit:
    • RedHat Enterprise 4, 5, 6
    • SuSE Linux Enterprise [Desktop|Server] 10, 11
    • Debian 4, 5, 6
    Note: As we add support for newer versions of Linux, support for older versions may have to be withdrawn.
  • Mac Intel compatible:
    • Mac OS X 10.5, 10.6, 10.7

Mercury has been tested when installed natively on these platforms. Use with emulators, including virtual machines, has not been tested & is not supported.

If you choose to use a version other than those listed above we cannot guarantee that Mercury will work correctly, although we will attempt to assist you with any problems you may encounter.

Mercury will not read my CIF input file. What am I doing wrong?

Mercury expects certain information to be present within an input file - if certain key data are not present, then Mercury may fail to read in the file.

In the case of CIFs, the spacegroup must be specified with at least one of the following must be supplied:

   _symmetry_space_group_name_h-m
   _symmetry_equiv_pos_as_xyz
   _symmetry_Int_Tables_number

Additionally, all of the following CIF data names are required by Mercury:

   _cell_length_a
   _cell_length_b
   _cell_length_c
   _cell_angle_alpha
   _cell_angle_beta
   _cell_angle_gamma
   _atom_site_label
   _atom_site_type_symbol
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z

We would also recommend the use of the CCDC's free CIF editor enCIFer to help correct CIFs for input into Mercury. It can be downloaded here.

Why do I get an error from WebLab Viewer or ChemWeb when I try to view the Mercury Help files?

WebLab viewer and ChemWeb both use the standard Windows file extension ".chm" as one of it's own file formats, even though this should be a standard Microsoft extension - hence WebLab viewer is mistakenly called to open this help file and an error occurs.

The solution is to delete the file Mercury.chm located in the doc directory of your Mercury installation - Mercury will then try to open the Mercury.html help file instead.

How do I get Mercury to recognise that I have a version of the CSD database installed?

If Mercury does not automatically open the CSD database when started, then it may be having difficulty locating the appropriate database files. In such a case, Mercury will check the environment variable CCDC_TOOLKIT_ASER_DATABASE. If this points to an ASER database, the database will be opened.

For example, on Windows:

    SET CCDC_TOOLKIT_ASER_DATABASE=X:\cdromV525\csd\as525be

and on Unix (C shell):

    setenv CCDC_TOOLKIT_ASER_DATABASE /home/cdrom/csd/as525be

Why do I have a problem displaying labels on Linux?

The latest version of Mercury tries to use the native OpenGL libraries for your Linux distribution. However if you are experiencing any problems with Mercury's display this is most likely because the OpenGL libraries on your system cannot support all the functions that Mercury uses. In this case you can switch back to using the libraries which are distributed with Mercury by starting mercury from the command line with the flag "-mesa".

Whenever I try to start Mercury on my linux system I get an error message about "GCC_3.3 not found"

If you get the following error message

path-to-mercury/c_linux/lib/GCC/libgcc_s.so.1: version `GCC_3.3' not found (required by /usr/lib/libstdc++.so.6)
when starting Mercury, then this signifies that your Mercury installation is getting confused with which gcc libraries it should be using. The simplest way to remedy this is to force the use of your system libraries by performing the following steps:
cd path-to-mercury/c_linux/lib/GCC/
mv libgcc_s.so.1 libgcc_s.so.1.old
Where path-to-mercury should be replaced to the path to your Mercury installation (e.g. /usr/local/Mercury_1.4 ).

In ConQuest on Mac OS X, the buttons on the Build Queries tab launch minimised windows: what can I do about this?

Presumably you are using the window manager twm? If you are using twm, you should:

     cp /usr/X11R6/etc/twm/system.twmrc $HOME/.twmrc

and add a line RandomPlacement, save the file, and restart twm.

A more integrated window manager is shipped with Mac OS X called quartz-wm. To use quartz-wm:

     cp /usr/X11R6/etc/xinit/xinitrc $HOME/.xinitrc
comment out twm &, add quartz-wm &, save the file and restart the XServer.

On Mac OS X I am unable to open the teaching subset database

The Mac OSX distribution of Mercury 2.2 lacks the teaching subset database files. To view the teaching subset database in the Mac OSX version of Mercury 2.2, please download the subset database files to your computer and then unpack the contents. The subset database can then be loaded into Mercury via the File->Open menu.

I get an error trying to install on Windows "Installation ended prematurely because of an error"

Go to Start -> Run and enter "regsvr32 vbscript" (without the quotes), then click OK. You should get a dialog saying "DllRegisterServer in vbscript suceeded". Mercury should now install correctly

On linux, Mercury has a transparent window and/or shows strange artefacts

This can be caused by having desktop effects enabled on your linux system. To determine if this is the cause, please disable desktop effects and see if Mercury launches properly.

If it does, then you can eliminate the problem even with desktop effects enabled by editing the script run_application.sh and add the line

XLIB_SKIP_ARGB_VISUALS=1; export XLIB_SKIP_ARGB_VISUALS
somewhere before the end.

On linux, Mercury displays no or strangely formatted text in the graphical user interface

This problem is due to a default font that the graphical user interface uses not being installed on your system. The solution is to use a '-font' argument when starting, eg:

mercury -font -adobe-courier-bold-r-normal-*-12-120-75-75-m-70-iso8859-4
However, that font may not be on your system. All the fonts on your system can be listed using the command 'xlsfonts', or you can use 'xfontsel' to build up the font string piece by piece, to find something pleasing to your eye. Ultimately, the font string may be added to the end of the last line of the run_application.sh script that launches Mercury, to make the change permanent.




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