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.

../_images/searchmmp.png

Schematic representation of the Matched Pair Analysis process

Command Line Interface

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

Code

Download code

MatchedPairTransform.py