Discussion group for the ARIA software

[Julien CAPPELE <julien.cappele AT univ-lorraine.fr>]

Hi Vicky,

Thanks for your answer.

If I remember correctly, I setup the project file using a template with this command:

aria --project_template new_project.xml

And then, I probably overwritten the file when I specified its path in CcpNmr, as the program asked me if it was OK to overwrite it.

I'm sorry I haven't been specific on the GUI thing, and the error message comes from ccpnmr python log. I did try to launch ARIA Gui alone with the command "aria2 -g" and it worked fine.

But I don't know if it is really that bad, because i'm not against using the terminal to launch Aria for the calculation.

Thanks again,

Best regards,

---------------------------------------------

Julien Cappèle

Doctorant - 2ème année - ED C2MP

Université de Lorraine

CRM² - UMR CNRS 7036

julien.cappele@univ-lorraine.fr

Tel: (+33)6 99 18 59 03

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Le jeu. 1 oct. 2020 à 11:41, Higman, Vicky (Dr.) <vad5 AT leicester.ac.uk> a écrit :

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