OEPerceiveInteractionHintsΒΆ
bool OEPerceiveInteractionHints(OEBio::OEInteractionHintContainer &asite)
Perceives potential interaction types between a protein and a ligand
stored in the OEInteractionHintContainer
object using default
parameters.
bool OEPerceiveInteractionHints(OEBio::OEInteractionHintContainer& asite,
const OEPerceiveInteractionOptions &opts)
Perceives potential interaction types between a protein and a ligand
stored in the OEInteractionHintContainer
object using the
given parameters (OEPerceiveInteractionOptions
).
The following interaction types are currently perceived:
OECationPiInteractionHint
(see alsoOECationPiInteractionHintType
namespace)OEChelatorInteractionHint
(see alsoOEChelatorInteractionHintType
namespace)OEHalogenBondInteractionHint
(see alsoOEHalogenBondInteractionHintType
namespace)OEHBondInteractionHint
(see alsoOEHBondInteractionHintType
namespace)OESaltBridgeInteractionHint
(see alsoOESaltBridgeInteractionHintType
namespace)OEStackingInteractionHint
(see alsoOEStackingInteractionHintType
namespace)
Code Examples
Perceive and Print Protein-Ligand Interactions OEChem TK example
Depicting Active Site Interactions Grapheme TK example
Accessing Interaction Hint Information OpenEye Python Cookbook recipe