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Fix mmcifutils test
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@AntonOresten
AntonOresten committed Oct 17, 2024
1 parent 7d34254 commit 65607b9
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion test/runtests.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -85,7 +85,10 @@ using Test
mktempdir() do dir
structure = pdbentry("3HFM"; dir)
mmcifdict = MMCIFDict(joinpath(dir, structure.name))
@test ProteinChains.get_auth_asym_to_taxid(mmcifdict) == Dict("Y" => "9031", "L" => "10090", "H" => "10090")
auth_asym_to_taxid = mapmmcif(mmcifdict,
"_atom_site.auth_asym_id" => "_atom_site.label_entity_id",
"_entity_src_gen.entity_id" => "_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id")
@test auth_asym_to_taxid == Dict("Y" => "9031", "L" => "10090", "H" => "10090")
end
end

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4 comments on commit 65607b9

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Release notes:

  • Add removeproperties function for removing properties from ProteinChains.
  • Add getmmcif and mapmmcif functions.
  • Fix ProteinChain numbering field getting renumbered to label_seq_id instead of auth_seq_id when available. renumbering is now added as an indexable property when an MMCIFDict is passed to the ProteinStructure{T}(::BioStructures.MolecularStructure) constructor, which happens by default in the MMCIF file read method.

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Registration pull request created: JuliaRegistries/General/117474

Tagging

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.3.2 -m "<description of version>" 65607b9bee6f541ef82f1c1e2ab660dac60860d1
git push origin v0.3.2

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Release notes:

  • Add removeproperties function for removing properties from ProteinChains.
  • Add getmmcif and mapmmcif functions.
  • Fix ProteinChain numbering field getting renumbered to label_seq_id when available instead of always auth_seq_id. renumbering is now added as an indexable property when an MMCIFDict is passed to the ProteinStructure{T}(::BioStructures.MolecularStructure) constructor, which happens by default in the MMCIF file read method.

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Registration pull request updated: JuliaRegistries/General/117474

Tagging

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.3.2 -m "<description of version>" 65607b9bee6f541ef82f1c1e2ab660dac60860d1
git push origin v0.3.2

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