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.