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Opening ORCA output with Avogadro2

I’m having issues in opening the Orca output files with Avogadro2. When I try to open the file, I get this error message:

Error while reading file ‘CH3CN.out’: Error while reading OpenBabel-generated CML: Error parsing XML: Start-end tags mismatch

I don’t have this problem with the old version of Avogadro on Windows, I tried to install it on Ubuntu 20.04, but I wasn’t successful (I had lot of troubles installing an old version of Qt, eventually I gave up). My OpenBabel version is 3.1.0.

Is there any solution to this incompatibility?

Thank you in advance!!

Cheers

Can you post the file (e.g., through a link with Pastebin, dropbox, google drive, etc.)? I’d need to see how the file is translated myself.

Hi!

Thank you for your rapid response. You can find an output file on this link https://drive.google.com/file/d/1k_DOHl1RhY1DOxBRtb7eQYnG4snVr8re/view?usp=sharing
This is read without problems by the old Avogadro, that shows the MOs, the structure and so on. Avogadro2 can’t even open it. Any help will be much appreciated!!

Cheers

It opens okay for me - what beta of Avo2 are you using?

You mention that you have Open Babel v3.1.0 - can you confirm that obabel CH3NO2*.out -ocml works?

Hi!

I’m using the 1.93.0 version (the latest release I guess). Actually the command you told to try doesn’t work, it gives the following output:

obabel: cannot write output file!
Open Babel 3.1.0 – Jun 3 2020 – 18:27:23
[…]

How did you install Open Babel?

If you run obabel -L cml do you get some help text about CML? (I would guess no.)

It seems as if this version doesn’t have CML support… I’ll have to see what we can do for that.

Yes I confirm that “cml is not a recognized plugin type”. I installed OpenBabel following the guide on the official site, here: https://openbabel.org/docs/dev/Installation/install.html

Can I install the plugin somehow?