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v1.1.0

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@jgreener64 jgreener64 released this 26 Nov 19:25
· 57 commits to master since this release
  • 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.