Releases: BioJulia/BioStructures.jl
Releases · BioJulia/BioStructures.jl
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.
v0.11.7
- Change compatibility bounds for new DataFrames.jl release.
v0.11.6
- Change compatibility bounds for new Format.jl release.
v0.11.5
- 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}
withreadmultimmcif
and written out withwritemultimmcif
. - Tab completion and an improved REPL display are added for
MMCIFDict
andMMTFDict
.
v0.11.4
- A
ProteinStructure
can now be obtained from aMMCIFDict
orMMTFDict
by passing them to theProteinStructure
constructor. This saves having to read the file twice when both the dictionary and the structure object are required. - Add
get
method forMMTFDict
.