[Wien] Xcrysden issues with w2web

Gavin Abo gsabo at crimson.ua.edu
Sun Jun 14 01:55:20 CEST 2020


Maybe there is still a problem with your XCRYSDEN_TOPDIR, refer to:


https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18555.html

http://www.democritos.it/pipermail/xcrysden/2020-January/001975.html


Regarding DISPLAY, maybe the following link to a xcrysden mailing list 
post can help:


http://www.democritos.it/pipermail/xcrysden/2020-May/001993.html


On 6/11/2020 2:51 PM, Johnathon Street wrote:
> Thank you for the response. That did resolve the issue. I am now 
> seeing "Requires X-windows system..." in the view struct portion of 
> w2web. I do have an xserver runner, as I am running on Ubuntu. Is 
> there a place where I need to set DISPLAY?
>
> ------------------------------------------------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of 
> Gavin Abo <gsabo at crimson.ua.edu>
> *Sent:* Saturday, June 6, 2020 11:05 AM
> *To:* wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
> *Subject:* Re: [Wien] Xcrysden issues with w2web
>
> Most likely you just need to kill and restart w2web.
>
>
> Refer to:
>
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11246.html 
> [mail-archive.com] 
> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11246.html__;!!LNEL6vXnN3x8o9c!y3eR68_jwMy-ieFTucnQK_nzeOCOUwzEtSNG-uwkPO_yATLz4wAk2gM46Iqc3q-u$>
>
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01987.html 
> [mail-archive.com] 
> <https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01987.html__;!!LNEL6vXnN3x8o9c!y3eR68_jwMy-ieFTucnQK_nzeOCOUwzEtSNG-uwkPO_yATLz4wAk2gM46Lm0FwxV$>
>
>
> On 6/6/2020 11:49 AM, Johnathon Street wrote:
>> I unable to view crystal with Xcrysden in w2web environment. However, 
>> I am able to view directly from terminal when typing Xcrysden in 
>> command line. I have found through the mailing list that 
>> XCRYSDEN_TOPDIR needs to be set, but I am unsure what it should be 
>> set to. Any help would be appreciated. I am running WIEN2k_19.2 and 
>> Xcrysden version 1.6.2.
>> Current Directory
>>  XCRYSDEN_TOPDIR=/usr/local/share/xcrysden-1.6.2
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