Releases: BioJulia/BioStructures.jl
Releases · BioJulia/BioStructures.jl
v1.1.0
- The
chainid!function is added, allowing the chain ID of a chain or residue to be changed. The newPDBConsistencyErroris thrown when this would give an inconsistent structural state. - "WAT" is added to
waterresnamesand is hence used inwaterselectorandnotwaterselector. - 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}withreadmultimmcifand written out withwritemultimmcif. - Tab completion and an improved REPL display are added for
MMCIFDictandMMTFDict.
v0.11.4
- A
ProteinStructurecan now be obtained from aMMCIFDictorMMTFDictby passing them to theProteinStructureconstructor. This saves having to read the file twice when both the dictionary and the structure object are required. - Add
getmethod forMMTFDict.
v0.11.3
- Gzip support is added for reading and writing mmCIF files via the
gzipkeyword argument.
v0.11.2
- Add
getmethod forMMCIFDict.