Ccpn to Aria?

Analysis Version 3
1

Hi. I was told version 3 is compatible with Aria

Can I just check the current protocols for running Aria.

Is it export with NEF. Then NEF is compatible with Aria web. I had a look but it seems to want NOESY peaklist in XML format.

Any guidance would be great.

Thanks

2

Hi,

@bardiaux created a tutorial for this which is available at
https://aria.pasteur.fr/tutorial/nef.html
and there is a also a demo starting at 42:55 as part of our NEF Workshop recording at

At the moment this may still only be available on the Aria Developer webserver which you can access at
https://ariaweb-dev.pasteur.fr/
though I note it currently says Maintenance in progress, please come back later!
So you may need to contact Benjamin to find out how long this will take or whether he can share the development version with you for local installation.

Vicky

3

Hi,

Yes Aria web is compatible with NEF.

Have a look at video from our online woekshop:

(from about 40 min onwards, about 42 min in there is into to Aria web with NEF with Benjamin Bardiaux).

Kind regards,
Eliza

4

Hi,
The tutorial Vicky mentioned ( ARIAweb tutorial: NEF data file) has been updated and now runs on the ariaweb server at https://ariaweb.pasteur.fr/.

Benjamin

2 Likes
6

Hi!
Can I use ccpnmr v3 with Aria 2.3? are they compatible?
If I understood the documentation correctly for ccpnmr3 I need python3 and for aria2.3 I need python2

7

Hi,

yes, it’s compatible. CcpNmr Analysis does use python3, but when you install the program it comes bundled with our own python3 environment, so you won’t use the one installed on your system. Aria 2.3 uses python2, but that is fine. However, it’s probably even easier if you use the web version of Aria - then you don’t have to bother installing it yourself.

Vicky

8

Thank you!

9

error1
error13840×2160 436 KB

second
second1920×1080 99.9 KB

Hi, help me please!
There is such an error, how to solve it (first screenshot), and when trying to link aria to ccpnmr, almost the same error appears (second screenshot). The second screenshot also showed what is in the ~/.bashrc file.
Thank you!

10

Hi,

Is there some particular reason why you do not want to use AriaWeb https://ariaweb.pasteur.fr/ ? I would definitely recommend that.

Eliza

11

Hi,

my work computer has enough processing power for the local version of aria.
Unfortunately, I don’t have stable high-speed internet

but if i can’t figure out how to install aria i’ll have to switch to ariaweb

12

So I think there is some confusion here about how ARIA links with CcpNmr Analysis in Versions 2 and 3.

In version 2 you will need to run Aria with Version 2 installed in which case the PYTHONPATH should be something like

.../ccpnmr/ccpnmr2.4/python

Aria will then directly link to your Version 2 project and extract the information required and write back into it.

With Version 3, you export all your data into a NEF file and which is then used by ARIA. ARIA will then write another NEF file as output which you can read back into Version 3. Have a look at the information provided above about how to link Version 3 with ARIA. Like @ElizaP, I would highly recommend using the web interface - whether the downloadable version works with NEF/Version 3 I am not sure - but you should be able to check on the GUI as to whether NEF is an alternative to CCPN/XML when selecting your data.

Vicky

13

As regards ariaweb - you only need to upload a NEF file which is not very large. Then everything is done on the ARIA server. Obviously the structures etc. that you get out at the end may be a bit larger, but I would still have thought that it would work with a slow internet connection.

Vicky