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Avogadro does not open an .out file from ORCA #1689

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Molybdenum4242 opened this issue Jul 23, 2024 · 9 comments
Open

Avogadro does not open an .out file from ORCA #1689

Molybdenum4242 opened this issue Jul 23, 2024 · 9 comments

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@Molybdenum4242
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**Avogadro version: 1.99.0 **

Desktop version:

  • OS: Windows 11 Home
  • Version 23H2

Describe the bug
When I was opening a .out file from ORCA with Avogadro, it always says error while reading file 'my_file.out'.

image

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welcome bot commented Jul 23, 2024

Thanks for opening your first issue here! Please try to include example files and screenshots if possible. If you're looking for support, please post on our forum: https://discuss.avogadro.cc/

@ghutchis
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We can't debug the problem if you can't share the output file.

@Molybdenum4242
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Oh sorry about that, but it basically fails for all output files. How do I send the output file though? It says this file type is not supported (to be sent in a comment).

@ghutchis
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You can change the extension to .txt or zip it.

@ghutchis
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Oh, one other question - can you please check a nightly build to see if that fixes your problem: https://two.avogadro.cc - several import/export bugs have been fixed since 1.99

@Molybdenum4242
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I don't think I've seen the same bug from the forum, unfortunately. This is an example of an output file that I can't open.
acetone_opt.txt

@ghutchis
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This one's going to be tricky. The output file is UTF-16. So far most of the code for reading files is based on UTF-8 files.

Do you know how / why this was created like this?

@Molybdenum4242
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Hi Sir, I have no idea why the output is coded in such a way. However, I found a viable solution: to encode the output with ASCII, and it works perfectly fine. So I now wonder whether there is a way to directly encode the output in ASCII or UTF-8 format?

@ghutchis
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I'd need to ask on the ORCA forum as far as the output.

But you can try something like this to convert files on Windows: https://superuser.com/a/1786510

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