Discussion group for the ARIA software

["Higman, Vicky (Dr.)" <vad5 AT leicester.ac.uk>]

Hi JC and Benjamin,

 

sorry, I always forget you can launch Aria from within CCPN! I always lunch Aria separately – not quite sure why – possibly it hadn’t been integrated into the CCPN GUI when I first started using it.

 

Thanks for your comment about Tix and V2.5, Benjamin. Just yesterday we were discussing creating a V2.5.2 version in order to make sure we ship everything that Aria will need (including nrmstarlib for NEF compatibility). I can’t remember now if Tix was mentioned or not, but will make sure we include that. In fact we may also create a separate python build with all these packages so people don’t have to install the full CCPN package in order to have a version of python that will easily run Aria.

 

All the best,

Vicky

 

 

From: <aria-discuss-request AT services.cnrs.fr> on behalf of Julien CAPPELE <julien.cappele AT univ-lorraine.fr>
Reply to: "aria-discuss AT services.cnrs.fr" <aria-discuss AT services.cnrs.fr>
Date: Thursday, 1 October 2020 at 10:53
To: "aria-discuss AT services.cnrs.fr" <aria-discuss AT services.cnrs.fr>
Subject: Re: [aria-discuss] Error during PSF-file generation

 

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

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

 

 

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