Bemis Murcko perception

A program that perceives the [Bemis-1996] regions of the input structures and outputs role information and annotations as SD data in the output. Uncoloring of the fragment regions to remove atom types and properties can optionally be requested for the output SMILES string annotations.

See also

• OEGetBemisMurcko function

Command Line Interface

Usage: ./BemisMurckoPerception input.sdf output.sdf [ -uncolor ] [-unsaturatedHeteroBonds] [ -smartsSubstituents substituentsString ]
[-regionType regionTypeString]

Code

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BemisMurckoPerception.py