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After installing xcrysden, I have this output when trying to launch the software:


+-----------------------------------------------------------------+
|*****************************************************************|
|*                                                               *|
|*  XCrySDen -- (X-Window) CRYstalline Structures and DENsities  *|
|*               =         ===         =              ===        *|
|*---------------------------------------------------------------*|
|*                                                               *|
|*    Anton Kokalj ([email protected])                          *|
|*    Jozef Stefan Institute, Ljubljana, Slovenia                *|
|*                                                               *|
|*    Copyright (c) 1996--2019 by Anton Kokalj                   *|
|*                                                               *|
|*****************************************************************|
+-----------------------------------------------------------------+

  Version: 1.6.2

  Please report bugs to: [email protected]


  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.

  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, J. Mol. Graph. Model., Vol. 17, pp. 176-179, 1999.
        Code available from http://www.xcrysden.org/.

XCRYSDEN_TOPDIR=/usr/share/xcrysden
XCRYSDEN_SCRATCH=/tmp

Running on platform : unix
   Operating system : Linux
Package ImageMagick's convert: /usr/bin/convert
Package ImageMagick's import: /usr/bin/import
Package Ppmtompeg: /usr/bin/ppmtompeg
Package Xwd: /usr/bin/xwd
Executing: /usr/lib/xcrysden/ftnunit
Error in startup script: 
Couldn't configure togl widget
    while executing
"togl .mesa  -width          400  -height         400  -ident          .mesa  -rgba           $toglOpt(rgba)           -redsize        $toglOpt(redsize..."
    (procedure "PlaceGlobWin" line 107)
    invoked from within
"PlaceGlobWin 0 [expr round(670 * $fac1)] [expr round(670 * $fac1)]"
    (procedure "ViewMol" line 25)
    invoked from within
"ViewMol ."
    invoked from within
"if { [llength $argv] > 2 } {
parseComLinArg [lrange $argv 2 end]
} else {
    ViewMol .
}"
    (file "/usr/share/xcrysden/Tcl/xcInit.tcl" line 633)

The commands I ran was:

  • sudo apt install tk libglu1-mesa libtogl2 libfftw3-3 libxmu6 imagemagick openbabel libgfortran5
  • sudo apt install xcrysden

I have the same problem when installing following the "How to Install the Compiled Package" instructions.

My system is :

Distributor ID: Ubuntu
Description:    Ubuntu 22.04.3 LTS
Release:    22.04
Codename:   jammy
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1
  • $\begingroup$ What system are you on? Ubuntu 22.0? Are you using Wayland? This error has something to do with X11 and Wayland. Previously, it has been fixed by sudo nano /etc/gdm3/custom.conf and then uncomment i.e. remove the # symbol from the line that says #WaylandEnable=false and lastly restart the system or do sudo systemctl restart gdm3. Then try reinstalling XCrySDen. $\endgroup$ Commented Dec 17, 2023 at 21:29

1 Answer 1

3
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By sending an email at the given address, I was recommended to do the following procedure on top on the installation:

  • cd
  • mkdir .xcrysden
  • cd .xcrysden
  • cp /usr/share/xcrysden/Tcl/custom-definitions .
  • uncommenting the "#set toglOpt(accum) false" in custom_definitions
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1
  • $\begingroup$ Thanks for sending that email! $\endgroup$ Commented Apr 1 at 14:38

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