[Wien] Xcrysden issues with w2web

Johnathon Street jstreet1 at csub.edu
Mon Jun 22 22:21:22 CEST 2020


When typing echo $DISPLAY into the terminal I am seeing :0. I still continue to see "requires X-Windows System..." when I try to view the crystal in w2web. Is there a way to set the DISPLAY variable inside the w2web process so that it may work there as well. Where do you recommend I set DISPLAY?

Thank you
________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gsabo at crimson.ua.edu>
Sent: Saturday, June 13, 2020 4:55 PM
To: wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Xcrysden issues with w2web


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 [mail-archive.com]<https://urldefense.com/v3/__https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18555.html__;!!LNEL6vXnN3x8o9c!wOFlUzcyu_b8T0m5p3xrOisn5mqtXqTGifQSvDBIX9DI1D0YgI-CoKIpEkzRTEgp$>

http://www.democritos.it/pipermail/xcrysden/2020-January/001975.html [democritos.it]<https://urldefense.com/v3/__http://www.democritos.it/pipermail/xcrysden/2020-January/001975.html__;!!LNEL6vXnN3x8o9c!wOFlUzcyu_b8T0m5p3xrOisn5mqtXqTGifQSvDBIX9DI1D0YgI-CoKIpElJMWCG9$>


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


http://www.democritos.it/pipermail/xcrysden/2020-May/001993.html [democritos.it]<https://urldefense.com/v3/__http://www.democritos.it/pipermail/xcrysden/2020-May/001993.html__;!!LNEL6vXnN3x8o9c!wOFlUzcyu_b8T0m5p3xrOisn5mqtXqTGifQSvDBIX9DI1D0YgI-CoKIpEmZACKf6$>


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><mailto:wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Gavin Abo <gsabo at crimson.ua.edu><mailto:gsabo at crimson.ua.edu>
Sent: Saturday, June 6, 2020 11:05 AM
To: wien at zeus.theochem.tuwien.ac.at<mailto:wien at zeus.theochem.tuwien.ac.at> <wien at zeus.theochem.tuwien.ac.at><mailto: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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