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Releases: BioJulia/BioStructures.jl

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.

v0.11.7

29 Dec 15:02
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  • Change compatibility bounds for new DataFrames.jl release.

v0.11.6

10 Nov 12:27
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  • Change compatibility bounds for new Format.jl release.

v0.11.5

10 Oct 13:37
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  • Some mmCIF files, such as the chemical component dictionary from the PDB, contain multiple data blocks. These can now be read in to a Dict{String, MMCIFDict} with readmultimmcif and written out with writemultimmcif.
  • Tab completion and an improved REPL display are added for MMCIFDict and MMTFDict.

v0.11.4

29 Sep 17:45
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  • A ProteinStructure can now be obtained from a MMCIFDict or MMTFDict by passing them to the ProteinStructure constructor. This saves having to read the file twice when both the dictionary and the structure object are required.
  • Add get method for MMTFDict.

v0.11.3

28 Sep 20:02
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  • Gzip support is added for reading and writing mmCIF files via the gzip keyword argument.

v0.11.2

27 Sep 11:50
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  • Add get method for MMCIFDict.