Shape screening 1

#1

Phase Shape Screening: Use a co-crystallized ligand conformation as a query to screen a set of ligands based on the shape. Screen against several queries. Commands to run the workflow in batch. [Version: 2.3 Requires: Phase shape]


This is a companion discussion topic for the original entry at https://kni.me/w/ofaqIhEaCTrrgXJv
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