Grapheme TK 1.1.3¶

New features¶

OEGet2DSurfaceArcs now has a radius scale parameter that allows the radii of the arcs to be easily scaled to different sizes.
OEGet2DSurfaceArcs now allows the generation of molecule surfaces with a different radius for every atom. See Listing 5 in Drawing a Molecule Surface chapter.
The following classes do not require a valid Shape TK license any longer.
- OEColorForceFieldDisplay class
- OEShapeQueryDisplay class
- OEShapeOverlapDisplay class

When atom clashes are checked during the molecule alignment of the OEPrepareAlignedDepictionFrom3D function, every atom is now considered not just the heavy atoms.

OEShapeOverlapDisplay, OEShapeQueryDisplay, OERenderColorOverlap, OERenderShapeOverlap will no longer crash when dealing with improperly initialized objects.
OEPrepareDepictionFrom3D performance has been improved.
OEPrepareDepictionFrom3D will now just alter coordinates in-place, and not invalidate all OEAtomBase and OEBondBase pointers.
Added parameter checks to the OEAddComplexSurfaceArcs function

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