Function coords_to_mmcif 

pub fn coords_to_mmcif(
    coords: &Tensor,
    sequence: &str,
    plddt: &Tensor,
    chain_id: &str,
    entry_id: &str,
) -> Result<String>

Convert ESMFold2 output to mmCIF string (single model, single chain).

Arguments

• coords — All-atom coordinates tensor. Accepts shapes:
  • (L, 14, 3) (atom14, one residue per row)
  • (1, L, 14, 3) (batched atom14; batch dim is squeezed)
  • (L, 3) (Cα-only)
  • (1, L, 3) (batched Cα-only; batch dim is squeezed)
• sequence — Protein sequence (one-letter codes), length L.
• plddt — Per-residue pLDDT in [0, 1], shape (L,) or (1, L). Written as B-factor × 100.
• chain_id — Chain identifier, e.g. "A".
• entry_id — Data-block name, e.g. "ESMFold2_pred".

Returns

mmCIF text string compatible with ferritin-core’s reader.