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Re: [aria-discuss] Error during PSF-file generation


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  • From: "Higman, Vicky (Dr.)" <vad5 AT leicester.ac.uk>
  • To: "aria-discuss AT services.cnrs.fr" <aria-discuss AT services.cnrs.fr>
  • Subject: Re: [aria-discuss] Error during PSF-file generation
  • Date: Thu, 1 Oct 2020 09:33:49 +0000
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Hi JC,

did you do the aria setup first?
I think you have run
aria2 -s file.xml
before you do
aria2 file.xml

On the GUI issue - on a Mac I have found it helpful to follow these
instructions:
http://aria.pasteur.fr/faq-1/no-tix-on-mac-use-ccpnmr-analysis-as-a-python-tcl-tk-tix-surrogate

But you may find the same works on Linux. It basically enables you to run
Aria with the CCPN python which has all the packages installed that Aria
needs for the GUI. This should work equally well with CcpNmr 2.4 or 2.5.

All the best,

Vicky



On 01/10/2020, 10:21, "aria-discuss-request AT services.cnrs.fr on behalf of
julien.cappele AT univ-lorraine.fr" <aria-discuss-request AT services.cnrs.fr on
behalf of julien.cappele AT univ-lorraine.fr> wrote:

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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