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76b45e7
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@JuliaRegistrator register
Release notes:
Breaking changes:
element
field of theAtom
structure is now calledpdb_element
. Ifelement(::Atom)
is called, the value of thepdb_element
field will be retrieved if not empty and not"X"
.atomic_number(::String)
was removed, as it was type-piracy because the function was defined inAtomsBase
. Useatomic_number(Atom(name="NT3"))
instead.New features
select_with_vmd
supports aAbstractVector{<:PDBTools.Atom}
as input. It will write a temporary PDB file and run VMD.pdb_element
andcharge
are now exported.76b45e7
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Registration pull request created: JuliaRegistries/General/99399
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: