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Releases: BioJulia/BioStructures.jl

v3.1.0

23 May 14:06
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  • PrecompileTools.jl is used to reduce the time to first execution of PDB file reading.

v3.0.0

01 Jan 17:10
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  • On Julia 1.9 and later the DataFrame and MetaGraph constructors are moved to package extensions in order to reduce the number of dependencies. Calling using DataFrames and using Graphs, MetaGraphs respectively is now required to access these functions.
  • The file formats PDB, PDBXML, MMCIF and MMTF are no longer subtypes of BioCore.IO.FileFormat, allowing BioCore.jl to be removed as a dependency.

v2.1.0

06 Oct 14:13
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  • DSSP and STRIDE can now be run to assign secondary structure to proteins.

v2.0.0

19 Feb 15:24
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  • The required versions of BioSequences.jl and BioAlignments.jl are updated to v3 of each, with support for earlier versions being dropped. LongAminoAcidSeq is hence renamed to LongAA, an alias for LongSequence{AminoAcidAlphabet}.
  • Fix bug in pdbentrylist.

v1.2.1

25 Jan 11:40
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  • Fix bug allowing reflections during structural superimposition.

v1.2.0

31 Dec 15:57
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  • firstindex and lastindex are defined for structural elements, contact maps and distance maps. This allows begin and end to be used in indexing expressions.
  • Support for Julia versions before 1.6 is dropped.

v1.1.0

26 Nov 19:25
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  • The chainid! function is added, allowing the chain ID of a chain or residue to be changed. The new PDBConsistencyError is thrown when this would give an inconsistent structural state.
  • "WAT" is added to waterresnames and is hence used in waterselector and notwaterselector.
  • Switch from using LightGraphs.jl to using Graphs.jl.

v1.0.0

26 May 17:20
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  • The ordering when sorting residues in a chain is changed from standard/hetero residue then residue number then insertion code to residue number then insertion code then standard/hetero residue. This makes in-chain hetero residues appear in the correct place in written PDB files.
  • Support for Julia versions before 1.3 is dropped.

v0.11.9

22 Apr 10:37
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  • Fix bug in expanding disordered residues before applying residue selectors.
  • Change compatibility bounds for new DataFrames.jl release.

v0.11.8

21 Mar 18:09
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  • Fix bug in expanding disordered atoms before applying atom selectors.