skills/bioskills/bio-rna-structure-structure-probing/scripts/constrained_folding.py

• load_shape_profile · function · L16-L27 — def load_shape_profile(profile_file)
• fold_unconstrained · function · L30-L36 — def fold_unconstrained(sequence)
• fold_shape_constrained · function · L39-L55 — def fold_shape_constrained(sequence, reactivities, m=1.8, b=-0.6)
• reactivity_structure_agreement · function · L58-L73 — def reactivity_structure_agreement(structure, reactivities, low=0.4, high=0.85)
• compare_predictions · function · L76-L90 — def compare_predictions(sequence, reactivities)
• plot_reactivity · function · L93-L115 — def plot_reactivity(sequence, structure, reactivities, output_file='reactivity_structure.png')