v0.0.7 - Information guessing features

Adds the guessing module.

This allows the residue name (guessing.guess_residue_name) and atom names (guessing.guess_atom_names) to be guessed from nonstandard inputs.

Full Changelog: v0.0.6...v0.0.7

v0.0.6 - Slightly nonstandard stuff allowed

PDBInf strictly relies on the names assigned to residues and atoms. This release includes the list of synonyms/aliases from OpenMM's PDBFile reader to allow multiple possible names for residues and atoms within a residue. For example a NME residue with carbon atoms called "CH3" (canonical is "C") is now properly treated.

v0.0.5 - allow chain breaks

Allows chain breaks in inputs, previously this raised a ValueError

v0.0.4

DNA and RNA support

v0.0.2

Full Changelog: v0.0.1...v0.0.2

v0.0.1

First pypi release

Full Changelog: https://github.com/OpenFreeEnergy/pdbinf/commits/v0.0.1