Pose Filter

Takes pose viewer input (receptor and ligands) and filters out poses that do not meet the user-specified requirements for interactions with the receptor.

Backend implementation

Input Ports

Pose viewer file containing receptor and ligands in Maestro format

Output Ports

Filtered out poses in Maestro format

Views

Log of Pose Filter

Log of Pose Filter

Best Friends (Incoming)

• Molecule Reader (to MAE) (30 %) 
• Glide Ensemble Merge (13 %) 
• Pose Entropy (13 %) 
• Parallel Chunk Start (4 %) 
• Complexes-to-PoseViewers (4 %) 
• Show all 13 recommendations

Best Friends (Outgoing)

• Molecule Writer (from MAE) (33 %) 
• Glide Sort Results (33 %) 
• Extract Properties (13 %) 
• Pose Filter (7 %) 
• Split by Structure (7 %) 
• Show all 6 recommendations

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

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Developers

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