Grapheme TK 1.0.0¶
Providing a mechanism to annotate atoms and bonds in the depicted molecule (see also Annotating Atoms and Bonds chapter)
Providing 18 built-in surface drawing styles and allowing to the implementation of user-defined ones.
Drawing complex molecule surfaces where the distance between the ligand and the receptor is projected into the 2D molecule surface (
OEAddComplexSurfaceArcs) Implementing the four default styles for drawing complex surfaces (OEDefaultBuriedArcFxn, OEDefaultCavityArcFxn, OEDefaultSolventArcFxn and OEDefaultVoidArcFxn) and handling user-defined ones (see Drawing Ligand-Protein Complex Surface chapter).