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v0.0.6 - Slightly nonstandard stuff allowed

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@richardjgowers richardjgowers released this 10 Aug 10:28
· 12 commits to main since this release
v0.0.6
c172c2d

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.

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