Omega TK 4.1.1

July 2021

New features

• Function OEOmegaSystemHasGPU has been added to test for availability of a GPU.

Major bug fixes

• A bug that caused a segmentation fault when zero was passed to the SetMaxConfs method has been fixed.

• And issue that prevented oeomega from using the GPU in child threads when OEOmegaIsGPUReady was called from the main thread has been fixed.

Minor bug fixes

• An issue with stereo specificity of the imino group (=NH) not being retained in a macrocycle has been fixed.

• An issue with loss of relative stereo marked atoms in macrocycle mode has been fixed.