v0.9.7

Backboner v0.9.7

Diff since v0.9.6

• Filter out disordered atoms.
• Add assign_oxygens! function, recalculating the oxygen positions and overwriting any existing oxygen atom for each residue.
• Define indexing of Chain with e.g. ranges to get a subchain.

v0.9.6

Backboner v0.9.6

Diff since v0.9.5

• Store non-backbone atoms in chains

v0.9.5

Backboner v0.9.5

Diff since v0.9.4

• Add prepend_bonds function
• Set default chain ID from "_" to "A" to avoid some programs breaking. cough chimera cough
• Define Base.values(::Backbone) method

v0.9.4

Backboner v0.9.4

Diff since v0.9.3

• Fix type issue in append_bonds function.

v0.9.3

Backboner v0.9.3

Diff since v0.9.2

• Make backbone dihedral angle calculation differentiable.
• Fix error that occurred in the old dihedral calculation function when stack was called on arrays of length zero. E.g. stacking the cross crosses of obtained from 3 points. There should've been an init value.

v0.9.2

Backboner v0.9.2

Diff since v0.9.1

• Add a manual precompilation step for common methods using PrecompilationTools.
• Minor fixes

v0.9.1

Backboner v0.9.1

Diff since v0.9.0

• Change default residue selector to only select complete residues

v0.9.0

Backboner v0.9.0

Diff since v0.8.2

• Add ZygoteIdealizationExt extension which defines an idealize(::Backbone, ...) method.

v0.8.2

Backboner v0.8.2

Diff since v0.8.1

• Add is_knotted(::Chain) method
• Improve 2-step knot detection code with the abstract TriangleMetric type, along with TriangleDistance and TriangleArea subtypes

v0.8.1

Backboner v0.8.1

Diff since v0.8.0

• Improve knot detection with a second step using an alternate triangle sorting strategy