Shape Screening 

Screens a list of molecules against a shape query. Each conformer from a given molecule is aligned to the query in various ways, and a similarity is […]

Run Maestro 

Launch Maestro

Property Filter (Propfilter) 

Select structures based on Maestro properties

Glide Ligand Docking Deprecated

Dock Ligands using Glide SP, XP or HTVS

MAE-to-Mol2 

Convert Maestro to Mol2 format

2D Sketcher 

Opens 2D Sketcher

Conformer Cluster 

Conformer Cluster

MAE-to-Smiles 

Convert Maestro format to canonicalized(unique) SMILES

Protein Preparation Workflow 

Set up and run the protein preparation.

Split by Structure 

Split structures by chain, molecule, or residue.