v2.0.0

ProteinSecondaryStructures v2.0.0

Diff since v1.5.0

New features

• Support for mmCIF files when running DSSP.

Breaking changes:

This is major breaking change relative to the 1.X series, because the package now focuses on being a lightweight and simple tool to compute secondary structures from PDB and mmCIF files only.

• The integration with PDBTools.jl was removed, and will be part of the PDBTools.jl package.
• The functions to analyze the secondary structure along molecular simulations will be moved to the MolSimToolkit.jl package.
• adjust_pdb (previously fix_header) defaults to false in all cases.
• kappa, alpha, and area fields were removed from the SSData structure.