Hi All,
A new command line script named RDKitPerformPositionalAnalogueScan.py <http://www.mayachemtools.org/docs/scripts/html/RDKitPerformPositionalAnalog ueScan.html> is now available as part of MayaChemTools package. Positional Analogue Scanning is recently reviewed in an article by Pennington et. al. <https://dx.doi.org/10.1021/acs.jmedchem.9b02092> Pat wrote a blog post <https://practicalcheminformatics.blogspot.com/2020/04/positional-analogue-s canning.html> about it. The new script extends Pat's work. In addition to replacing and attaching atoms, a set of options is available to attach SMILES, run reactions, and perform tandem scanning. Your feedback is welcome. Thanks, Manish
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