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Prime Refinement

DeprecatedDeprecated Nodes version by Schrödinger

The Induced Fit predict sidechains within a distance around the ligand.

Backend implementation

The script refine-binding-siteCLI.py is used to implement this node.


Distance cutoff
Cutoff distance (in angstroms) from the ligand pose, within which residues that have any atoms are included in the refinement list.

Input Ports

Complex structures in Maestro format

Output Ports

Induced fit complex structures in Maestro format


Log output of refine-binding-siteCLI.py
Log output of refine-binding-siteCLI.py


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