Loads chignolin (10 residues, GYDPETGTWG) at the partly-folded geometry, runs molecule.js
to convergence, then computes the reduced-model parameters:
envelope geometry, per-residue hydrophobicity, net charge, dipole, Cα coordinates.
Click Download JSON to save the reduced model.
Modes (Cα Hessian) require multiple displacement runs — left to a follow-up.
This first version extracts the static-geometry pieces from a single run.
Status:Initialising… Energy:— Ha Atoms:—Residues:— Net charge:— e End-to-end (Cα0–Cα9):— Å Bounding box:— ų