OEIsValidActiveSite

bool OEIsValidActiveSite(const OEInteractionHintContainer &asite)

Returns true if the interaction container contains exactly two molecules. One typed as “ligand” (OELigandInteractionHintComponent), the other as “protein” (OEProteinInteractionHintComponent).

See also

• OELigandInteractionHintComponent class

• OEProteinInteractionHintComponent class

Note

Valid active sites can be depicted with the Grapheme TK

See also

• OEAddDockingInteractions function in the OEDocking TK manual

• OEPrepareActiveSiteDepiction and OERenderActiveSite functions in the Grapheme TK manual