OEDepict TK 2.2.4¶
Major bug fixes¶
- The OEPrepareDepiction function now throws a warning in cases when 2D coordinates are generated that are inconsistent with the cis/trans bond stereo configuration of the molecule.
- OEPrepareAlignedDepiction can now handle molecules with more than 32 rotatable bonds. Previously, if the number of rotatable bonds was greater than 32, not enough sampling would be done to achieve a good alignment. Additionally, the set of bonds to rotate is decided in a dynamic fashion to mitigate the expense of fitting large flexible molecules.
Minor bug fixes¶
- Added the metal colors introduced in the 2014.Jun release to the parameters generated by the OEConfigureHighlightParams function.
- Fixed potential memory leak in the OERenderMolecule functions.
- OEAddHighlightOverlay that takes an iterator of matches is now usable in C#.
- All images in this documentation were automatically regenerated to reflect the changes made since the previous release.