Grapheme TK 1.2.0

New features

• The following classes and functions have been added for visualizing ligand-receptor interactions:

  • OE2DActiveSiteDisplay class

  • OE2DActiveSiteDisplayOptions class

  • OE2DActiveSiteLegendDisplayOptions class

  • OEPrepareActiveSiteDepiction function

  • OERenderActiveSite function

  • OEDrawActiveSiteLegend function

• A new Grapheme TK example that visualizes receptor-ligand interactions has been added. For more details, see the Depicting Active Site Interactions section.

Major bug fixes

• When generating a 2D layout from a 3D conformation by using the OEPrepareDepictionFrom3D function, the configuration of the amide bonds are now always respected.

  Example of generating a 2D layout from a 3D conformation

  Grapheme TK version 1.1.3		Grapheme TK version 1.2.0

Minor bug fixes

• The memory leak has been fixed and a check has been added to prevent division-by-zero in the OEAddComplexSurfaceArcs function.

Documentation changes

• All images in this documentation were automatically regenerated to reflect the changes made since the previous release.

• More C# examples have been added.