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GOLD

This directory contains 3 workflows.

CCDC GOLD Export Results 

This component exports GOLD solutions in the input table to a specified directory as MOL2 files. The export directory must exist and must be empty. The GOLD […]

CCDC GOLD Ligand Prep 

This component takes SMILES strings as input and prepares high-quality 3D structures suitable as input to GOLD. As well as a SMILES column, the input table […]

CCDC GOLD Run Docking 

This component runs GOLD on ligands from the input table. The supplied ligands must be in MOL2 or MOL format and must be suitable for input to GOLD, i.e. […]