First of all, I apologize for using a translator because I am not good at English. I installed Avogadro2 this time and tried to create an Orca input file with the ‘Generate Orca input’ button. However, the interfaces of Avogadro 1 and 2 are very different, so I can’t find it. How do I create an Orca input file? There are only gamess and python for input generation, and I don’t plan to use either of them. I would appreciate it if you could help me.
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No worries about using a translator or English skills. It’s an international project!
I don’t know what version of Avogadro you’re using or what OS.
I’d first suggest installing a nightly build from https://two.avogadro.cc because it looks like a very old version and we’re about to release 1.100 soon.
You do need to install Python to use many features. We use Python scripts for many of the input generator windows including Orca. If you let us know what OS you’re using, we can suggest how to get Python set up.
I should also mention that the nightly builds and recent versions have much better ORCA support.
Thanks for your answer. I am using Window 11 and the version is 1.90.0. Is there any way to update the version of the existing program?
Yes, you can download a new version from Install — Avogadro 1.99.0 documentation - I would recommend a nightly build, e,g. https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Win64.exe.zip
I would recommend installing Python from: https://github.com/conda-forge/miniforge/releases/download/24.11.0-0/Mambaforge-Windows-x86_64.exe
I finally managed to get the Orca input file. Thanks a lot for your help.
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