Using OpenEye software for substructure alignments
Read OriginalThis article provides a detailed tutorial on performing substructure-based molecular alignments using OpenEye software. It covers extracting substructures, converting them to SMILES strings, running the OEChem RMSD tool, and automating workflows with Python scripts for aligning target molecules to a query and overlaying low-energy conformers.
Using OpenEye software for substructure alignments
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