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@github-actions github-actions released this 03 Dec 20:01

ComplexMixtures v2.11.0

Diff since v2.10.2

New features

  • Support for plotting 2D density maps as heatmap or contour (without filling), for ResidueContributions objects:
julia> contourf(residue_contributions; oneletter=true)

Image

julia> contour(residue_contributions; oneletter=true)

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julia> heatmap(residue_contributions; oneletter=true)

Image

Bug fixes

  • Some bug fixes related to plotting ResidueContributions with repeated or unsorted residue numbers (in combination with PDBTools.jl v2.1.3).
  • Set maximum number of contributions by default when plotting contour plots, to avoid memory crashes (throws warnings).
  • Fix example of 2D density map of example 3 of the documentation, where the terminal methyl groups where not shown.

Merged pull requests: