Render — Visualization Data

The render module extracts GPU-ready data from Coords and MoleculeEntity values. It serves as the bridge between molex’s canonical types and rendering engines like viso.

`RenderCoords`

The primary output type, containing separated backbone and sidechain data with bond connectivity:

let render = RenderCoords::from_entity(&entity, is_hydrophobic, get_bonds);

Fields

Field	Type	Description
`backbone_chains`	`Vec<Vec<Vec3>>`	N-CA-C position triples per chain
`backbone_chain_ids`	`Vec<u8>`	Chain ID for each backbone chain
`backbone_residue_chains`	`Vec<Vec<RenderBackboneResidue>>`	Full N/CA/C/O per residue
`sidechain_atoms`	`Vec<RenderSidechainAtom>`	Non-backbone heavy atoms
`sidechain_bonds`	`Vec<(u32, u32)>`	Sidechain bond pairs (indices into `sidechain_atoms`)
`backbone_sidechain_bonds`	`Vec<(Vec3, u32)>`	CA→CB connections
`all_positions`	`Vec<Vec3>`	Every atom position (for bounding box, picking)

Construction methods

from_entity() — from a MoleculeEntity with topology callbacks
from_coords_with_topology() — from raw Coords with callbacks
from_coords() — minimal extraction (no bonds or hydrophobicity)

Queries

render.get_atom_position(residue_idx, "CB")  // Option<Vec3>
render.find_closest_atom(residue_idx, point) // Option<(Vec3, String)>
render.ca_positions()                        // Vec<Vec3>
render.residue_count()                       // usize

`render::backbone`

Backbone-specific extraction from MoleculeEntity:

BackboneData — chains as flat CA arrays + chain IDs
ca_positions_from_chains() — extract CA positions from N-CA-C chains

`render::sidechain`

Sidechain extraction with bond topology:

SidechainAtoms — atom positions, names, bonds, hydrophobicity
SidechainAtomData — per-atom data struct

`extract_sequences()`

Extract amino acid sequences from Coords:

let (full_sequence, chain_sequences) = extract_sequences(&coords);
// full_sequence: "MQIFVKTL..."
// chain_sequences: vec![(b'A', "MQIFVKTL..."), (b'B', "...")]

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