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Side Chain Remover

DeprecatedDeprecated Nodes version by Schrödinger

The Side Chain Remover should be used to trim flexible side chains which might clash with the ligands to be docked. Consult the Induced Fit Docking User manual if you are unsure which side chains to trim.

Backend implementation

The script trimCLI.py is used to implement this node.


Trim side chains of residues (ASL)
ASL expression to specify the residues whose side chains should be temporarily removed by mutating the residues to alanine. The sidechain label is not changed and will be used later by the Induced Fit node to repredict the original residue.

Input Ports

Protein Structure in Maestro format

Output Ports

Protein Structure with trimmed sidechains in Maestro format


Log output of trimCLI.py
Log output of trimCLI.py


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