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mda.fetch_alphafold()

Open orbeckst opened this issue 4 years ago • 4 comments
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Is your feature request related to a problem?

Can we have mda.fetch_alphafold() to get a model from https://www.alphafold.ebi.ac.uk/ ?

Describe the solution you'd like

u = mda.fetch_alphafold("O15552")

Describe alternatives you've considered

Manually download...

Additional context

It's not clear to me if they have a dedicated API but reading https://www.ebi.ac.uk/services might help.

orbeckst avatar Jul 30 '21 22:07 orbeckst

So I gave it a good look and for now it doesn't seem like the REST API has been exposed. They might release it later in the future though.

In the meantime, if we want to go down this route we really should implement an mmCIF/PDBx parser (I think @orbeckst has already opened an issue about this).

IAlibay avatar Aug 01 '21 20:08 IAlibay

Note that ChimeraX has an alphafold command that retrieves by uniprot ID or matches by sequence or structure.

orbeckst avatar May 17 '22 07:05 orbeckst