Discussion group for the ARIA software

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

Hi Benjamin, thanks for your answer.

I forgot to mention that the error about ARIA Gui is specific to CcpNmr. I can launch it from the terminal (aria -g) but when I click on the "Launch Aria gui" in CcpNmr, it says Tix cannot be imported. I assume this error is more on the CcpNmr side. The check.py says it's all OK, especially :

"""

Tkinter and Tix modules...
Tkinter imported (Tk version 8.600)

Tix imported.

"""

On the actual generation problem:

I tried to generate the PSF-file myself just to see if it was related to rights or something, and it produced the exact same output which is :

"""

 %SETFPEPS increase value of MXFPEPS2 and recompile
 %SETFPEPS error encountered: Could not determine machine epsilon
   (CNS is in mode: SET ABORT=NORMal END)
 *****************************************************
 ABORT mode will terminate program execution.
 *****************************************************
 Program will stop immediately.
          ============================================================
           Maximum dynamic memory allocation:           0 bytes
           Maximum dynamic memory overhead:             0 bytes
           Program started at: \00\00\00\00\00\00\00\00 on \00\00\00\00\00\00\00\00\00\00\00
           Program stopped at: 13:25:55 on 01-Oct-2020
           CPU time used:       0.0017 seconds
          ============================================================

"""

I really do not know how to fix that epsilon thingy. I tried to google it, but I have no idea how to force CNS to use one.

The CPU in the laptop i'm using is a quad-core Intel i7-4710MQ

Thanks again,

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

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 11:35, Benjamin Bardiaux <bardiaux AT pasteur.fr> a écrit :

Hi Julien,

On 01/10/2020 11:11, 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.

What does the check.py script tells you about Tix being installed ?

>
> 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."

check the run1/cns/begin/generate.out for ERROR, this should tell you more about the issue.

Best,

Benjamin

>
> 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
>


--
---------------------------------------------
Dr Benjamin Bardiaux      bardiaux AT pasteur.fr
Unité de Bioinformatique Structurale
CNRS UMR3528 - Institut Pasteur
25,28 rue du Docteur Roux 75015 Paris, France
---------------------------------------------

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

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 11:35, Benjamin Bardiaux <bardiaux AT pasteur.fr> a écrit :

Hi Julien,

On 01/10/2020 11:11, 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.

What does the check.py script tells you about Tix being installed ?

>
> 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."

check the run1/cns/begin/generate.out for ERROR, this should tell you more about the issue.

Best,

Benjamin

>
> 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
>


--
---------------------------------------------
Dr Benjamin Bardiaux      bardiaux AT pasteur.fr
Unité de Bioinformatique Structurale
CNRS UMR3528 - Institut Pasteur
25,28 rue du Docteur Roux 75015 Paris, France
---------------------------------------------