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NEWS.md

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v0.5.0

Breaking changes:

  • BioStructures and MIToS implement different parsers for PDBFiles and different representations of structures. As of BioStructures v4, there is momentum for standardizing the Julia ecosystem around BioStructures. GPCRAnalysis version 0.5.0 switches from MIToS to Biostructures. getchain now returns the BioStructures representation, which requires users to switch to their API for further manipulations.

    MIToS is still used for its Multiple Sequence Alignment (MSA) module.

  • The align* utilities now return a transformation, rather than the transformed structure. Users should use applytransform!(chain, tform) or applytransform!(copy(chain), tform) manually. An advantage of this approach is that it can also be used to align complexes based on a superposition computed from alignment of individual chains.