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v0.3.0

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@github-actions github-actions released this 26 Nov 19:00

Backboner v0.3.0

Diff since v0.2.0

  • Added documentation (incomplete).
  • Added Residue type with fields: index, backbone (the entire backbone of the parent chain), aa (amino acid), and ss (secondary structure).
  • Added the backbone_atom_coords function to get the coordinates of the backbone atoms of a residue, represented by a 3x4 matrix.
  • Added aavector field to Chain.
  • Chain is now a subtype of AbstractVector{Residue}.
  • The add_oxygens function no longer removes the last residue of a Backbone{3} when creating the Backbone{4}. Instead, it selects a random orientation for the oxygen atom of the last residue.
  • Secondary structure of chains are now represented by Chars according to the standard for DSSP classification.
  • Removed SecondaryStructure type.