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Support for AlphaFold database #438
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Hi, currently it is not planned to add a direct interface to the AlphaFold Protein Structure Database (https://alphafold.ebi.ac.uk/). To my knowledge this database has no documentation for a REST API to search AlphaFold structures and fetch them. The RCSB PDB started to intgrate AlphaFold structures itself (https://www.rcsb.org/docs/general-help/computed-structure-models-and-rcsborg), so probably download of AlphaFold structures will be managed via |
OK, look forward to seeing this! |
AlphaFoldDB officially released docs and better support for their API a few days ago. I was going to have a go at it, but I don't really know my way around APIs much at all. Thought I would share the links to potentially have it integrated into biotite. https://www.ebi.ac.uk/about/news/updates-from-data-resources/alphafold-database-ux-update/ |
I would be happy to contribute an interface to the AlphaFold DB, I am familiar with the APIs. Is this something the project would welcome? I would be a first time contributor to biotite (long time user) |
Yes, indeed! In the moment there is already a contributor that was working in this in #465. However, the last commit is multiple months ago, so I expect the contributor cancelled the project. I would like to give the author another week to respond. Otherwise I would close his PR and give way to you to work on this feature. I would imagine an interface that is similar to |
That all sounds good to me 👍 Agree that the interface for |
There was no response, yet, so I closed #465. Hence you can start if you like. |
Now @jonfunk21 also approved, that you may take on the issue. |
That is wonderful, thanks for the update! I will plan on working on this over the next week or so. Will report back once I have something to show.
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I’ve implemented fetching and included a few basic tests so far (see here https://github.com/dacarlin/biotite/blob/add-alphafold-db/tests/database/test_alphafold.py). Shall I open a WIP merge request as I wrap up the changes and get the code ready for your comments? Currently, I have my changes in a branch that is in a recent fork |
Looks already quite good, feel free to open a PR. I wonder if the tests pass, since there are two issues, if I am not wrong.
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Yes, thanks! You are definitely correct, I ran into issues before I finished writing the tests which led me down a rabbit hole. Briefly, I created a new Conda environement using the Good news is now I can write proper tests! |
I suppose you probably have the brand new Cython 3.0 installed? I just saw that the |
Glad that it's an easy fix. This is the output of
Meanwhile, I'll create a PR for this feature branch 😄 |
Hi,
I think Biotite is a really useful tool when I deal with a lot of biological data. Do your team has any plan to integrate AlphaFold database into the biotite API?
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