v4.7.1

• Change compatibility bounds for new MetaGraphs.jl release.
• The docstring for Transformation is improved.

v4.7.0

• specializeresnames! is added, allowing residues to be renamed to reflect the bonding topology.

v4.6.1

• mmCIF file parsing is made more robust with respect to the available fields, and for example will use _atom_site.label_atom_id when _atom_site.auth_atom_id is not available.

v4.6.0

• The selection syntax now supports parentheses and multiple names as a shortcut for "or" clauses.
• Standard protein bond lengths and angles are available as bondlengths and bondangles.

v4.5.0

• chiangle and chiangles are added to calculate the sidechain dihedral angles in protein residues.
• mmCIF files with secondary structure annotations will now, by default, parse and assign secondary structure. Setting run_dssp or run_stride to true will cause DSSP or STRIDE to be run and provide the secondary structure, as before.
• A constructor for MetaGraph on a Chain is added that constructs a graph of atoms where edges are determined by the known bonds of standard amino acids in the chain.

v4.4.2

• A bug in storing indices for Transformation is fixed.

v4.4.1

• A bug in input checking for Transformation is fixed.

v4.4.0

• Selection strings now support interpolation.

v4.3.0

• Selection strings are made much faster.

v4.2.1

• Change compatibility bounds for new MetaGraphs.jl release.