Matched Pair analysis and transformations

A program that loads a previously generated Matched Pair index, then reads an input set of structures and outputs transformed structures based on the matched pairs discovered during indexing.

Schematic representation of the Matched Pair Analysis process

See also

• OEMatchedPairAnalyzer class

• OEMatchedPairAnalyzerOptions class

• OEMatchedPairApplyTransforms function

Command Line Interface

prompt> MatchedPairTransform.py -mmpidx index.mmpidx -input input.sdf -output output.sdf

Code

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MatchedPairTransform.py