Grapheme ^TM TK 1.4.0

New features

• New OEDrawIridiumData functions have been added to visualize OEIridiumData.

  hover cursor over graph

  Example of visualizing Iridium data

• A new function, OERenderActiveSite, has been added that depicts the new non-ideal hydrogen bonds. For more details about these interactions, see the OEIsNonIdealHBondInteractionHint functor.

Example of visualizing non-ideal hydrogen bonds (PDB: 1LEE)

• A new overload of OEPrepareAlignedDepictionFrom3D has been added that generates 2D coordinates of a molecule driven by the 3D overlay of the shape query display object.