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Refactored and updated changelog
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douweschulte committed Jan 25, 2022
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3 changes: 3 additions & 0 deletions changelog.md
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Expand Up @@ -3,9 +3,12 @@ All versions are properly annotated on [github](https://github.com/douweschulte/

### upcoming
* Implemented `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.
* 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.
* Respecified the dependencies versions to allow cargo to more often reuse dependencies in complex projects.
* Updated covalent bond radii to work in Å as well (was picometers).
* Added `atom.overlaps_bound()` which uses covalent bond radii instead of unbound radii. (Thanks to raised issue)

### 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)
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