Shape TK 1.6.1
This is the first release as part of the consolidated toolkits release.
New features
- Added functions to retrieve the version and build date of the library.
Bug fixes
- Changed to a stable sort inside
OESortOverlayScores to prevent crashes with a very
large number of results.
- Fixes to OEOverlap that in some cases could result in slow behavior
when internal grids were rebuilt instead of being cached.
- Fix a subtle bug that could result in erroneous behavior if reusing
the same OEOverlap object while changing the fit
object from a grid to a molecule or from a molecule to a grid.