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Fixes: #260 Signed-off-by: Thomas Kemmer <thomas@binaryden.de>
Signed-off-by: Thomas Kemmer <thomas@binaryden.de>
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Breaking changes:
secondary_structure_idxhas been removed fromFragmentTable/FragmentSecondaryStructureTable/SecondaryStructurehas now two additional private columns/fieldsfirst_fragment_idxandlast_fragment_idxSecondaryStructure(...)requires an initial fragment as well as an terminal fragment instead of a chain, similar to its representation in PDB files:Fragment(...)/Residue(...)/Nucleotide(...)no longer accept a secondary structure as their first argumentparent_secondary_structure(...)has been removed (and incorporated intosecondary_structures(...))push!(chain, secondary_structure)has been removed without replacement