Shape TK 1.6.1¶
This is the first release as part of the consolidated toolkits release.
Added functions to retrieve the version and build date of the library.
Changed to a stable sort inside
OESortOverlayScoresto prevent crashes with a very large number of results.
OEOverlapthat 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
OEOverlapobject while changing the fit object from a grid to a molecule or from a molecule to a grid.