v0.12.0

• Added unified file read logic, see ReadOptions (Thanks to y1zhou and OWisset)
  • This deprecates the original read functions open_gz (still around for ease of updating) and open_raw (fully removed in this update)
• Added unique_conformer_names for a PDB (Thanks to rvhonorato)
• Added chains_in_contact for a PDB (Thanks to rvhonorato)

v0.11.0

• Added support for zipped (.gz) files (Thanks to OWisset)
• Does not automatically convert chain names to uppercase anymore (Thanks to OWisset)

v0.10.2

• Added remove_models_except and remove_models_except_first (Thanks to OWisset) (#103)
• Improved some errors generated by pdbtbx
• Fixed panic (#102)

v0.10.1

• Added more amino acids for is_amino_acid
• Implemented Display for StrictnessLevel

v0.10.0 Enumerated Elements

• Moved from string based elements to enums see Element, this means that the Atom::set_element, Atom::element, and Term::element have changed
• Deprecated the following functions Atom::atom_number, Atom::atomic_radius, Atom::covalent_bond_radii,
  and Atom::vanderwaals_radius the radius functions are replaced with Element::atomic_radius which contains
  all these measures in the struct AtomicRadius
• Added Element::weight and Element::electro_negativity data
• Implemented Extend for all levels in the PDB hierarchy
• Implemented FromIterator for the PDB struct
• Removed requirement for atom_site.pdbx_formal_charge, atom_site.group_PDB, atom_site.occupancy, and atom_site.B_iso_or_equiv for mmCIF files (thanks to #93)
• Added support for SCALE, ORIGX, and MTRIX in mmCIF files (open and save)
• Fixed ignoring some of the auth_* series of mmCIF columns, by giving them precedence over the label_* columns in seq_id and asym_id (thanks to #95)
• Fixed remark-type-number 400 missing from the valid number list (thanks to #96)
• Fixed a small bug in saving MtriX records (thanks to #96)

v0.9.2

• Added open_mmcif_raw
• Fixed a bug in atom parsing (#92)
• Removed below precision errors in validation
• Changed many functions to accept AsRef<str> instead of &str
• Marked all applicable functions as const

v0.9.1

• Added more search terms
• Added angle and dihedral angle calculations on atoms (Thanks to DocKDE)
• Added extra examples (Thanks to DocKDE)
• Added support for DBREF1/2
• Improved PDB parsing performance (Thanks to DocKDE)
• Improved error message styling and merged common errors
• Additional code and documentation improvements

v0.9.0 Structured search

• Added find method on all levels in the PDB, this should allow for human friendly atom(s) searching.
  pdb.find(Term::ConformerName("ALA".to_string()) + Term::AtomName("CA".to_string()))
• Added bounding_box to the PDB struct.
• Added atom.overlaps_bound() which uses covalent bond radii instead of unbound radii. (Thanks to raised issue)
• Extended atomic_number to take the first character of the name if this is one of "CHONS" and the element is unset and the name is not an element name.
• Updated covalent bond radii to work in Å as well (was picometers).
• Respecified the dependencies versions to allow cargo to more often reuse dependencies in complex projects.

v0.8.0 All the hierarchy

• Added support for residue serial numbers over 9999 and atom serial numbers over 99999 for PDB files. (Thanks to DocKDE)
• Changed argument type of save_pdb from PDB to &PDB. (Thanks to DocKDE)
• Allow lack of chain name in PDB files. (Thanks to DocKDE)
• Added mutable structs to extend the use of AtomWithHierarchy alongside a refactor which created a struct for every hierarchy level. See the docs for more information.
• Removed Atom.pos_array() and moved the rstar::rtree to use (f64, f64, f64) instead of [f64; 3]. This was made possible by the adoption of tuples as points in rstar.

v0.7.0 Ecosystem integration

• Added parallel iterators based on Rayon (Thanks to DocKDE)
• Added support for generating r*trees from Rstar, this has to be opted in by using the feature rstar
• Added support for serialization using Serde, this has to be opted in using the feature serde
• Added a new struct AtomWithHierarchy to have access to the containing layers of an atom in an easy way and added functions to generate and work with this struct
• Added binary_find_atom to all hierarchies to find atoms in less time
• Added more names for amino acids and backbone atoms (Thanks to DocKDE)
• Added support for bonds (can only read Disulfide bonds from PDBs for now)
• And many more small fixes and docs updates