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

Command Line Interface

Usage: ./BemisMurckoPerception [ -uncolor ] input.sdf output.sdf

Code

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BemisMurckoPerception.py