Grapheme TK 1.1.3¶
- 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.
Major bug fixes¶
- When atom clashes are checked during the molecule alignment of the OEPrepareAlignedDepictionFrom3D function, every atom is now considered not just the heavy atoms.
Minor bug fixes¶
- 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.