Szmap TK 1.3.1¶
Major bug fixes¶
Fixed a critical problem that was causing crashes when duplicating OESzmapResults objects using the copy constructor or assignment operator.
Molecules returned from
OESzmapEngineOptions.GetProbe
,OESzmapEngineOptions.GetProbeMol
OESzmapResults.PlaceProbeSet
,OESzmapResults.PlaceProbeMol
, andOESzmapResults.PlaceNewAtom
, are now all explicitly marked as three-dimensional. This allows the coordinates to be written properly in.sdf
format.
Documentation fixes¶
Fixed minor typos in the examples.