Module input_types 

Input builder types for ESMFold2 structure prediction.

This module provides typed builder structs for constructing the StructurePredictionInput required by the ESMFold2 API. It mirrors the Python esm.models.esmfold2 SDK, supporting protein chains, DNA chains with optional chemical modifications, and small-molecule ligands specified by CCD (Chemical Component Dictionary) codes.

Example

use ferritin_plms::esmfold2::input_types::{
    DNAInput, LigandInput, ProteinInput, StructurePredictionInput,
};

let protein = ProteinInput::new("A", "MKTAYIAK").unwrap();
let ligand  = LigandInput::from_ccd("L", "ATP");
let input   = StructurePredictionInput::new()
    .add_protein(protein)
    .add_ligand(ligand);

assert_eq!(input.num_chains(), 2);

Structs

DNAInput

A single DNA chain, optionally carrying chemical modifications.

LigandInput

A small-molecule ligand described by one or more CCD codes.

Modification

A chemical modification at a specific position within a nucleic-acid chain.

ProteinInput

A single protein chain for structure prediction.

StructurePredictionInput

The top-level input for an ESMFold2 structure prediction request.

Enums

ChainInput

One chain in a multi-entity structure prediction request.

Functions

validate_dna_sequence

Validate that every character in a DNA sequence belongs to the accepted alphabet.

validate_protein_sequence

Validate that every character in a protein sequence belongs to the accepted alphabet.