Improvements to version 4.61:

Partial Stereochemistry Perception:

• 4.51:

  Rule states that stereocenters must be fully specified in the transformation. Stereochemistry is not perceived in the following example in 4.51:

  [*:1]/[C:2]=[C:3]/[*:4]>>[*:1]/[C:2]=[C:3]\[*:4]

  In effect, transformations use SMILES semantics for chirality. Chirality which doesn't apply to atom environment is discarded from the SMIRKS.

• 4.61:

  Stereochemical perception in SMIRKS is local. This matches SMARTS search semantics fully. The toolkit may throw away the chirality during the generation of the resulting reactions, but the transformation itself keeps the chirality.

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