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fetch_mmtf no longer works #4634

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IAlibay opened this issue Jul 7, 2024 · 3 comments · Fixed by #4639
Closed

fetch_mmtf no longer works #4634

IAlibay opened this issue Jul 7, 2024 · 3 comments · Fixed by #4639
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Component-Core Component-Readers deprecation Deprecated functionality to give advance warning for API changes. Format-MMTF upstream issue in a dependency

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@IAlibay
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IAlibay commented Jul 7, 2024

Expected behavior

Calling fetch_mmtf will return an MMTF of the provided PDB entry.

Actual behavior

Calling fetch_mmtf leads to the following error:

URLError: <urlopen error [Errno -2] Name or service not known>

Why

As of the 2nd of July 2024, the PDB no longer services MMTF files, which means that attempts at retreiving such files no longer works.

Suggested path forward

My suggestion would be to remove the fetch_mmtf method and deprecate the MMTF Reader as no longer relevant.

Current version of MDAnalysis

  • Which version are you using? (run python -c "import MDAnalysis as mda; print(mda.__version__)") develop
  • Which version of Python (python -V)? 3.10+
  • Which operating system? Any
@RMeli
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RMeli commented Jul 8, 2024

Thanks @IAlibay, the suggested path forward sounds sensible to me.

@orbeckst orbeckst added the upstream issue in a dependency label Jul 9, 2024
@orbeckst
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orbeckst commented Jul 9, 2024

Yes, I agree.

I would like to remove MMTFReader but on the off-chance that some has actual mmtf files they want to read, they get fair warning.

@orbeckst orbeckst added deprecation Deprecated functionality to give advance warning for API changes. Component-Readers Component-Core labels Jul 9, 2024
@orbeckst
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Removing MMTF also helps us with relicensing https://www.mdanalysis.org/2023/09/22/licensing-update/#removing-apache-20-dependencies

@IAlibay IAlibay self-assigned this Jul 22, 2024
@IAlibay IAlibay mentioned this issue Jul 22, 2024
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Labels
Component-Core Component-Readers deprecation Deprecated functionality to give advance warning for API changes. Format-MMTF upstream issue in a dependency
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4 participants