Releases: BioJulia/BioStructures.jl
Releases · BioJulia/BioStructures.jl
v3.1.0
v3.0.0
- On Julia 1.9 and later the
DataFrame
andMetaGraph
constructors are moved to package extensions in order to reduce the number of dependencies. Callingusing DataFrames
andusing Graphs, MetaGraphs
respectively is now required to access these functions. - The file formats
PDB
,PDBXML
,MMCIF
andMMTF
are no longer subtypes ofBioCore.IO.FileFormat
, allowing BioCore.jl to be removed as a dependency.
v2.1.0
- DSSP and STRIDE can now be run to assign secondary structure to proteins.
v2.0.0
- 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 toLongAA
, an alias forLongSequence{AminoAcidAlphabet}
. - Fix bug in
pdbentrylist
.
v1.2.1
- Fix bug allowing reflections during structural superimposition.
v1.2.0
firstindex
andlastindex
are defined for structural elements, contact maps and distance maps. This allowsbegin
andend
to be used in indexing expressions.- Support for Julia versions before 1.6 is dropped.
v1.1.0
- The
chainid!
function is added, allowing the chain ID of a chain or residue to be changed. The newPDBConsistencyError
is thrown when this would give an inconsistent structural state. - "WAT" is added to
waterresnames
and is hence used inwaterselector
andnotwaterselector
. - Switch from using LightGraphs.jl to using Graphs.jl.
v1.0.0
- 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
- Fix bug in expanding disordered residues before applying residue selectors.
- Change compatibility bounds for new DataFrames.jl release.
v0.11.8
- Fix bug in expanding disordered atoms before applying atom selectors.