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[aria-discuss] Error during PSF-file generation


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  • From: julien.cappele AT univ-lorraine.fr
  • To: aria-discuss AT services.cnrs.fr
  • Subject: [aria-discuss] Error during PSF-file generation
  • Date: Thu, 1 Oct 2020 11:11:06 +0200

Good morning/afternoon everyone,

I am a PhD student and I am currently trying to locally calculate some NMR
structures with Aria, on a Ubuntu 20.04 LTS plateform.
To be honest, I've been trying for a week now and I finally installed
"correctly" all the softwares (Aria2.3, CNS1.2) and I am using CcpNmr 2.5.0.

I'm doing the tutorial dedicated to structure calculation of CcpNmr.
However, now that the project is finally set up, I get an error when i'm
starting the calculation with Aria.
Using this command: $ aria2 /path/to/my/project/project.xml, I get a strange
error that I cannot understand.

"IOError: USER ERROR <aria.cns.CNS> File "/some/path/to/aria2.3.2_05.08.2019/
aria2.3/src/py/aria/cns.py", line 2038 in prepare
An error occurered during creation of the PSF-file: "/some/path/to/Tutorials/
CcpnCourse3a/run1/cns/begin/CcpnCourse3a.psf" could not be found."

Also, I cannot use the GUI interface with Aria because I get a strange error
about Tix package being not installed and I didn't find any solution to it.

Does someone have a solution to this problem ?
Thanks a lot for your time.

JC



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