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Some updates to documentation #344

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merged 5 commits into from
Oct 9, 2024
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rwxayheee
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This PR includes the following updates to the Read the Docs documentation.

  • Made some necessary updates to .readthedocs.yml. Because of version changes of Sphinx, Read the Docs will not build with the original .readthedocs.yml

  • Added a new page for Colab examples. These examples use Meeko instead of ADFR suite for receptor preparation.
    A preview of this page (documentation site of my fork):
    https://rwxayheee-autodock-vina.readthedocs.io/en/latest/colab_examples.html

  • Some updates to the installation and software requirements. (I didn't overwrite the existing tutorials as ADFR suite is still a legit way for receptor preparation... But I could rewrite that if needed.)

@diogomart please let me know if you like the examples! Would you be interested in reusing them on the Meeko documentation site? If so, I can write with more details about the usage of the Meeko command line scripts.

In this PR, only the Vina examples are included. I have two more Colab notebooks (covalent, reactive) that use ADGPU as the docking engines:
https://github.com/rwxayheee/Colabs?tab=readme-ov-file#meeko_rtd_examples

I don't own the official Vina Read the Docs, so I'm not entirely sure if Read the Docs will automatically rebuild the documentation site for a merged PR. This is not urgent to merge, but I'm happy to help with further edits.

@rwxayheee rwxayheee requested a review from diogomart September 19, 2024 07:43
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Looks great!

@rwxayheee
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Thank you @diogomart. Merging

@rwxayheee rwxayheee merged commit 09f67a9 into ccsb-scripps:develop Oct 9, 2024
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@rwxayheee rwxayheee deleted the update_doc branch October 24, 2024 16:32
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2 participants