OEIsValidActiveSiteΒΆ
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
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