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.
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
commented
1 month ago
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.