Module atom37 

Canonical 37-slot heavy-atom representation and atom-name lookups.

The atom37 scheme is the standard representation used by ESMFold, AlphaFold2, and related models: every amino acid is represented with up to 37 possible heavy-atom positions, each at a fixed slot index defined by ATOM37_NAMES.

Key items

• NUM_ATOM37 / NUM_RESIDUES — dimension constants
• ATOM37_NAMES — canonical name→slot mapping (array)
• atom_order — HashMap version of the same mapping
• atom37_index — slot lookup by atom name
• AAAtom — typed enum mirroring the slot indices

Structs

AAAtomIter

An iterator over the variants of AAAtom

Enums

AAAtom

Typed atom37 slots; discriminants match ATOM37_NAMES indices.

Constants

ATOM37_NAMES

Canonical atom37 names in slot order.

NUM_ATOM37

NUM_RESIDUES

Functions

atom37_index

Returns the atom37 slot index for a named atom, or None if unknown.

atom_order

Map from atom name (e.g. "CA") to its atom37 slot index.