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MODULE · v0.9.1
Molecular interactions
proteinmotion.interactions
Compute and display hydrogen bonds and screened Coulomb interactions.
Guide and rendered examples →Classes
| Name | Description |
|---|---|
| HydrogenBondsclass | Detect hydrogen bonds from donor–acceptor distance and hydrogen geometry. |
| Electrostaticsclass | Compute screened Coulomb pair energies and electrostatic potential. |
| Interactionclass | An immutable record for one detected molecular interaction. |
| InteractionHighlightclass | Draw selected hydrogen-bond or electrostatic contact lines. |
Functions
| Name | Description |
|---|---|
| charges_from_pqr()function | Match PQR charges to the protein’s atom identities. |